#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3krg s ASP 2 N 0.00 2.12 0.36 0.00 -4.77 -1.26 -4.71 116.67 108.41 3krg s ASP 2 Ca 0.00 0.40 0.09 0.00 -3.30 0.00 0.00 52.55 49.73 3krg s ASP 2 Cb 0.00 -0.50 0.68 0.00 -1.09 0.00 0.00 42.92 42.00 3krg s ASP 2 CO 0.00 -3.36 1.84 -0.07 0.70 0.00 0.00 175.17 174.29 3krg h LEU 3 N -2.07 0.23 -1.44 2.11 3.38 -1.95 -0.12 115.31 115.44 3krg h LEU 3 Ca -0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3krg h LEU 3 Cb 1.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 3krg h LEU 3 CO 0.35 0.46 0.21 1.23 0.09 0.00 0.00 178.44 180.78 3krg h GLY 4 N 0.91 0.62 -0.07 0.83 0.00 -1.95 -3.25 103.07 100.15 3krg h GLY 4 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3krg h GLY 4 CO 0.04 0.26 -0.65 1.42 0.00 0.00 0.00 176.54 177.61 3krg n HIS 5 N -4.41 0.00 -1.37 5.60 8.25 -0.84 -4.52 115.22 117.94 3krg n HIS 5 Ca 0.03 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.16 3krg n HIS 5 Cb 0.12 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.32 3krg n HIS 5 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3krg s GLN 6 N -2.31 2.16 0.33 -0.41 -0.21 -0.12 -4.68 119.66 114.42 3krg s GLN 6 Ca 0.06 1.51 0.09 0.00 0.02 0.00 0.00 55.36 57.05 3krg s GLN 6 Cb 0.11 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.21 3krg s GLN 6 CO 0.57 -1.77 -0.02 0.95 -2.12 0.00 0.00 175.29 172.90 3krg s THR 7 N -2.36 2.61 0.17 -0.19 -4.23 -1.26 -4.79 115.64 105.59 3krg s THR 7 Ca 0.69 -2.04 -0.31 0.00 -1.18 0.00 0.00 61.69 58.84 3krg s THR 7 Cb -0.23 -2.73 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 3krg s THR 7 CO 0.48 -0.23 1.55 -0.22 -0.54 0.00 0.00 174.62 175.66 3krg s LEU 8 N -3.68 4.37 0.61 4.79 2.96 -0.36 -4.96 118.68 122.42 3krg s LEU 8 Ca 0.34 2.62 -0.19 0.00 -0.22 0.00 0.00 54.13 56.67 3krg s LEU 8 Cb -0.01 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 3krg s LEU 8 CO 0.19 -0.81 1.30 0.61 -1.32 0.00 0.00 176.35 176.31 3krg n GLY 9 N 3.58 0.58 0.02 7.98 0.00 -1.26 -4.71 105.19 111.38 3krg n GLY 9 Ca 0.13 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.12 3krg n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krg n SER 10 N -1.55 0.12 -0.51 1.61 3.41 -1.26 -1.39 113.62 114.04 3krg n SER 10 Ca 0.14 0.53 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 3krg n SER 10 Cb 0.47 -0.56 0.09 0.00 -0.26 0.00 0.00 64.21 63.95 3krg n SER 10 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3krg n ASN 11 N -1.63 2.36 -4.13 4.04 3.02 -1.26 -4.86 115.26 112.79 3krg n ASN 11 Ca 0.02 -1.71 -0.43 0.00 -0.03 0.00 0.00 54.58 52.43 3krg n ASN 11 Cb 0.14 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 3krg n ASN 11 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3krg n ASP 12 N 0.52 5.00 -0.07 6.41 -0.08 -0.49 -1.03 116.55 126.82 3krg n ASP 12 Ca 0.08 -3.02 0.01 0.00 -1.51 0.00 0.00 54.79 50.35 3krg n ASP 12 Cb 0.34 -1.55 -0.00 0.00 2.34 0.00 0.00 41.12 42.24 3krg n ASP 12 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3krg n GLY 13 N 3.63 -2.20 0.31 0.27 0.00 -0.94 -4.19 105.19 102.07 3krg n GLY 13 Ca 0.41 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 45.11 3krg n GLY 13 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3krg h TRP 14 N -0.05 0.00 -0.01 1.61 -0.00 -1.77 -0.82 115.95 114.91 3krg h TRP 14 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 3krg h TRP 14 Cb 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.21 3krg h TRP 14 CO 0.00 0.01 0.02 0.78 -0.00 0.00 0.00 178.44 179.25 3krg h GLY 15 N 0.06 0.00 1.01 1.49 0.00 -1.69 -2.14 103.07 101.80 3krg h GLY 15 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3krg h GLY 15 CO 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.45 3krg n ALA 16 N -2.25 2.71 -1.62 3.60 0.00 -0.31 -3.13 120.51 119.51 3krg n ALA 16 Ca -0.03 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 3krg n ALA 16 Cb 0.10 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.24 3krg n ALA 16 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3krg s TYR 17 N -2.48 2.26 0.00 0.00 5.04 -0.81 -4.01 117.35 117.36 3krg s TYR 17 Ca 0.29 1.54 0.00 0.00 -2.44 0.00 0.00 57.07 56.46 3krg s TYR 17 Cb 0.20 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 39.02 3krg s TYR 17 CO 0.47 -2.40 0.00 -1.13 -1.34 0.00 0.00 175.55 171.15 3krg n SER 18 N -2.01 0.00 0.00 4.32 3.41 -1.26 -1.19 113.62 116.89 3krg n SER 18 Ca 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 3krg n SER 18 Cb 0.50 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.96 3krg n SER 18 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3krg n THR 19 N 0.00 0.37 -4.60 6.66 -2.24 -1.26 -4.99 114.28 108.21 3krg n THR 19 Ca 0.00 0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3krg n THR 19 Cb 0.00 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 3krg n THR 19 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krg n GLY 20 N 0.87 -1.31 2.91 3.38 0.00 -0.33 -4.76 105.19 105.93 3krg n GLY 20 Ca 0.07 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 3krg n GLY 20 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krg s THR 21 N 0.00 1.70 -0.67 2.61 2.01 -1.18 -4.84 115.64 115.26 3krg s THR 21 Ca 0.00 -1.92 0.08 0.00 0.31 0.00 0.00 61.69 60.16 3krg s THR 21 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 3krg s THR 21 CO 0.00 -0.60 0.52 0.35 -0.69 0.00 0.00 174.62 174.20 3krg n THR 22 N 4.50 0.00 -0.25 -0.82 -2.24 -1.26 -1.23 114.28 112.98 3krg n THR 22 Ca 0.01 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3krg n THR 22 Cb 0.42 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.73 3krg n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3krg n GLY 23 N 0.87 2.95 1.84 3.38 0.00 -1.26 -1.60 105.19 111.37 3krg n GLY 23 Ca 0.03 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 46.02 3krg n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3krg n GLY 24 N 0.00 3.26 0.44 -0.02 0.00 -1.23 -3.96 105.19 103.68 3krg n GLY 24 Ca 0.00 -0.96 0.26 0.00 0.00 0.00 0.00 46.02 45.32 3krg n GLY 24 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3krg h SER 25 N 3.50 0.26 -0.27 1.61 4.64 -1.53 0.17 113.55 121.94 3krg h SER 25 Ca 0.06 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3krg h SER 25 Cb 2.03 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 3krg h SER 25 CO 0.53 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.85 3krg n LYS 26 N -4.44 2.18 -1.64 4.77 5.02 -1.26 -4.89 118.16 117.89 3krg n LYS 26 Ca 0.23 -1.19 -0.46 0.00 -2.02 0.00 0.00 58.31 54.87 3krg n LYS 26 Cb 0.94 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 34.38 3krg n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3krg n ALA 27 N 0.31 0.45 -1.72 7.82 0.00 0.60 -4.89 120.51 123.08 3krg n ALA 27 Ca 0.11 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.69 3krg n ALA 27 Cb 0.46 -2.19 0.11 0.00 0.00 0.00 0.00 19.45 17.83 3krg n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3krg s SER 28 N 0.19 4.05 0.39 0.00 1.04 -1.26 -4.94 113.70 113.17 3krg s SER 28 Ca 0.70 0.88 0.07 0.00 0.48 0.00 0.00 55.95 58.08 3krg s SER 28 Cb -0.72 -1.42 0.81 0.00 0.10 0.00 0.00 66.02 64.79 3krg s SER 28 CO 0.51 -2.20 1.99 0.77 0.98 0.00 0.00 173.24 175.28 3krg h SER 29 N -1.26 0.40 0.36 7.02 4.64 -1.98 -1.48 113.55 121.26 3krg h SER 29 Ca -0.48 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3krg h SER 29 Cb 1.33 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3krg h SER 29 CO 0.64 0.38 -0.01 -1.54 -0.87 0.00 0.00 176.83 175.43 3krg n SER 30 N -4.39 0.08 -1.04 4.97 3.41 -1.26 -3.36 113.62 112.03 3krg n SER 30 Ca 0.02 -0.49 0.02 0.00 -0.26 0.00 0.00 58.87 58.15 3krg n SER 30 Cb 0.15 -0.16 0.23 0.00 -0.26 0.00 0.00 64.21 64.16 3krg n SER 30 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3krg n ASN 31 N -1.13 3.19 -4.46 4.04 4.13 -0.56 -4.89 115.26 115.58 3krg n ASN 31 Ca 0.17 -3.39 -0.34 0.00 1.68 0.00 0.00 54.58 52.71 3krg n ASN 31 Cb 0.21 -0.59 -0.13 0.00 -1.54 0.00 0.00 39.78 37.73 3krg n ASN 31 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3krg s VAL 32 N -3.04 3.76 0.10 2.41 1.01 -1.21 -1.26 120.40 122.17 3krg s VAL 32 Ca 0.44 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3krg s VAL 32 Cb 0.37 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 3krg s VAL 32 CO 0.05 0.48 -0.16 -0.31 0.00 0.00 0.00 175.10 175.16 3krg s TYR 33 N 0.56 1.41 -0.09 5.22 2.02 0.02 -4.98 117.35 121.50 3krg s TYR 33 Ca -0.03 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 3krg s TYR 33 Cb -0.14 -0.76 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 3krg s TYR 33 CO 0.03 0.12 -0.23 0.99 -1.57 0.00 0.00 175.55 174.89 3krg s THR 34 N -1.58 1.99 0.01 -0.71 2.01 -1.26 -0.54 115.64 115.56 3krg s THR 34 Ca 0.04 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.09 3krg s THR 34 Cb -0.08 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.69 3krg s THR 34 CO 0.03 0.55 -0.10 0.68 -0.69 0.00 0.00 174.62 175.09 3krg s VAL 35 N 0.32 0.79 -0.00 3.82 -7.23 0.55 -4.95 120.40 113.69 3krg s VAL 35 Ca -0.17 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 59.35 3krg s VAL 35 Cb -0.17 -0.70 0.01 0.00 0.56 0.00 0.00 36.38 36.07 3krg s VAL 35 CO 0.08 0.06 0.69 -1.54 -0.31 0.00 0.00 175.10 174.08 3krg n SER 36 N 2.40 0.24 -3.80 4.85 3.41 -1.26 -1.07 113.62 118.37 3krg n SER 36 Ca -0.16 -1.40 -0.05 0.00 -0.26 0.00 0.00 58.87 57.00 3krg n SER 36 Cb 0.56 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.43 3krg n SER 36 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3krg s ASN 37 N -0.42 -0.22 0.20 4.04 2.20 -1.26 -4.64 114.94 114.84 3krg s ASN 37 Ca 0.01 -0.52 -0.09 0.00 -0.94 0.00 0.00 52.86 51.32 3krg s ASN 37 Cb 0.01 0.61 0.14 0.00 -2.00 0.00 0.00 41.25 40.01 3krg s ASN 37 CO 0.00 -1.13 1.79 -0.09 -2.94 0.00 0.00 177.10 174.72 3krg h ARG 38 N 2.00 1.07 -0.33 3.55 2.43 -1.94 -1.18 114.38 119.99 3krg h ARG 38 Ca -0.22 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 58.82 3krg h ARG 38 Cb 1.24 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3krg h ARG 38 CO 0.24 0.84 0.14 -0.91 -1.51 0.00 0.00 179.97 178.77 3krg h ASN 39 N 1.04 0.18 -0.46 -3.80 2.35 -1.93 0.17 115.58 113.12 3krg h ASN 39 Ca 0.25 0.03 -0.11 0.00 -0.55 0.00 0.00 56.30 55.92 3krg h ASN 39 Cb 0.13 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3krg h ASN 39 CO -0.03 0.14 -0.15 1.56 -1.65 0.00 0.00 177.43 177.30 3krg h GLN 40 N 0.29 0.91 0.16 0.81 4.20 -1.90 -0.36 115.11 119.23 3krg h GLN 40 Ca 0.14 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 3krg h GLN 40 Cb 0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3krg h GLN 40 CO -0.13 1.02 -0.11 1.25 -0.67 0.00 0.00 178.83 180.19 3krg h LEU 41 N 0.75 -0.28 -0.94 1.46 5.85 -0.98 -1.26 115.31 119.91 3krg h LEU 41 Ca 0.11 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3krg h LEU 41 Cb 0.70 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3krg h LEU 41 CO 0.05 -0.18 0.62 0.58 -0.34 0.00 0.00 178.44 179.17 3krg h VAL 42 N -0.27 1.20 -0.45 1.05 2.07 -0.55 -1.03 116.25 118.27 3krg h VAL 42 Ca -0.01 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3krg h VAL 42 Cb 0.24 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3krg h VAL 42 CO 0.00 0.23 0.23 0.28 0.02 0.00 0.00 177.57 178.32 3krg h SER 43 N 1.23 0.58 -0.45 0.57 0.02 -0.92 -1.56 113.55 113.01 3krg h SER 43 Ca 0.36 -0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.14 3krg h SER 43 Cb -0.07 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3krg h SER 43 CO -0.10 0.53 0.05 0.00 -1.14 0.00 0.00 176.83 176.17 3krg h ALA 44 N 1.07 0.60 -0.54 3.77 0.00 -0.84 -3.07 119.26 120.26 3krg h ALA 44 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3krg h ALA 44 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3krg h ALA 44 CO -0.02 0.35 0.24 -0.07 0.00 0.00 0.00 179.25 179.75 3krg h LEU 45 N 0.62 0.72 0.00 0.00 3.38 -1.15 -3.48 115.31 115.41 3krg h LEU 45 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3krg h LEU 45 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3krg h LEU 45 CO 0.01 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.82 3krg n GLY 46 N -0.88 1.23 3.96 0.83 0.00 -0.59 -4.71 105.19 105.03 3krg n GLY 46 Ca 0.03 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 3krg n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3krg s LYS 47 N 0.00 2.26 0.53 1.61 1.02 -1.26 -4.94 119.74 118.96 3krg s LYS 47 Ca 0.00 -1.88 0.23 0.00 0.02 0.00 0.00 55.97 54.34 3krg s LYS 47 Cb 0.00 -2.33 1.38 0.00 -0.52 0.00 0.00 37.83 36.36 3krg s LYS 47 CO 0.00 -0.75 2.04 1.49 -0.92 0.00 0.00 175.35 177.22 3krg h GLU 48 N 0.48 0.00 0.00 1.68 4.81 -1.94 -0.11 114.58 119.51 3krg h GLU 48 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3krg h GLU 48 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 3krg h GLU 48 CO 0.50 0.00 0.00 0.25 -0.73 0.00 0.00 179.01 179.03 3krg n THR 49 N -4.39 0.55 -2.35 0.32 -2.24 -1.26 -4.29 114.28 100.62 3krg n THR 49 Ca 0.06 0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 3krg n THR 49 Cb 0.46 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 3krg n THR 49 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3krg n ASN 50 N -1.38 4.77 -0.82 3.42 5.15 -0.05 -4.67 115.26 121.68 3krg n ASN 50 Ca 0.07 -2.98 0.11 0.00 -0.60 0.00 0.00 54.58 51.18 3krg n ASN 50 Cb 0.18 -1.59 0.08 0.00 -0.53 0.00 0.00 39.78 37.92 3krg n ASN 50 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3krg n THR 51 N 4.59 0.00 -1.87 -0.44 -2.24 -1.26 -4.43 114.28 108.62 3krg n THR 51 Ca 0.44 -0.47 -0.39 0.00 -2.27 0.00 0.00 64.05 61.36 3krg n THR 51 Cb 0.40 1.43 0.02 0.00 -2.10 0.00 0.00 70.33 70.08 3krg n THR 51 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3krg s THR 52 N -1.92 2.25 0.16 4.28 -1.32 -1.26 -4.58 115.64 113.24 3krg s THR 52 Ca 0.25 0.20 -0.34 0.00 -1.21 0.00 0.00 61.69 60.59 3krg s THR 52 Cb 0.18 -3.11 -0.15 0.00 -1.51 0.00 0.00 72.50 67.91 3krg s THR 52 CO 0.32 0.01 1.40 -2.65 -2.21 0.00 0.00 174.62 171.49 3krg n PRO 53 N -0.56 1.66 -3.88 7.08 -0.02 -1.26 -4.83 135.00 133.19 3krg n PRO 53 Ca 0.07 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 62.05 3krg n PRO 53 Cb 0.44 -2.26 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 3krg n PRO 53 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 3krg s LYS 54 N 0.30 0.50 -0.08 -0.52 -2.85 -0.47 -4.19 119.74 112.44 3krg s LYS 54 Ca 0.77 -0.48 0.03 0.00 -1.00 0.00 0.00 55.97 55.29 3krg s LYS 54 Cb -0.78 0.21 0.01 0.00 -2.06 0.00 0.00 37.83 35.20 3krg s LYS 54 CO 0.45 -0.12 -0.15 0.42 0.10 0.00 0.00 175.35 176.05 3krg s ILE 55 N -1.64 1.39 -0.15 3.79 1.01 -0.39 -1.21 121.20 124.01 3krg s ILE 55 Ca -0.13 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3krg s ILE 55 Cb -0.06 -1.24 0.02 0.00 0.01 0.00 0.00 42.46 41.19 3krg s ILE 55 CO 0.00 0.41 -0.14 -0.63 0.00 0.00 0.00 174.94 174.58 3krg s ILE 56 N 0.59 1.57 -0.23 2.92 1.01 0.79 -0.80 121.20 127.04 3krg s ILE 56 Ca -0.15 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 3krg s ILE 56 Cb -0.16 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 3krg s ILE 56 CO 0.05 0.46 0.15 -0.31 0.00 0.00 0.00 174.94 175.29 3krg s TYR 57 N 1.45 3.34 -0.21 3.97 2.02 0.30 -1.12 117.35 127.09 3krg s TYR 57 Ca 0.04 0.25 -0.16 0.00 -0.37 0.00 0.00 57.07 56.84 3krg s TYR 57 Cb -0.13 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.15 3krg s TYR 57 CO -0.10 0.12 0.39 0.42 -1.57 0.00 0.00 175.55 174.81 3krg s ILE 58 N 0.87 5.20 -0.25 2.71 1.01 -0.01 -0.33 121.20 130.39 3krg s ILE 58 Ca 0.08 0.68 -0.05 0.00 0.00 0.00 0.00 60.65 61.36 3krg s ILE 58 Cb -0.13 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3krg s ILE 58 CO 0.03 0.24 0.00 -0.75 0.00 0.00 0.00 174.94 174.47 3krg s LYS 59 N 1.38 3.18 3.30 2.79 2.20 -0.24 -0.34 119.74 132.01 3krg s LYS 59 Ca 0.18 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.02 3krg s LYS 59 Cb -0.15 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.02 3krg s LYS 59 CO 0.08 -0.33 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 3krg n GLY 60 N 4.80 0.09 3.66 5.54 0.00 -1.26 -4.39 105.19 113.63 3krg n GLY 60 Ca -0.16 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 3krg n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krg s THR 61 N 0.00 5.35 -0.38 2.61 2.01 -1.26 -1.02 115.64 122.95 3krg s THR 61 Ca 0.00 0.22 -0.06 0.00 0.31 0.00 0.00 61.69 62.16 3krg s THR 61 Cb 0.00 -3.52 0.07 0.00 0.01 0.00 0.00 72.50 69.06 3krg s THR 61 CO 0.00 0.33 0.17 -0.63 -0.69 0.00 0.00 174.62 173.80 3krg s ILE 62 N 1.10 3.74 -0.22 1.82 1.01 0.12 -4.73 121.20 124.05 3krg s ILE 62 Ca 0.08 -1.46 -0.28 0.00 0.00 0.00 0.00 60.65 59.00 3krg s ILE 62 Cb -0.14 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.07 3krg s ILE 62 CO 0.05 -0.40 1.00 -0.62 0.00 0.00 0.00 174.94 174.97 3krg s ASP 63 N 1.74 7.07 0.20 3.58 -1.08 -1.26 -0.71 116.67 126.20 3krg s ASP 63 Ca 0.02 1.33 0.24 0.00 -0.52 0.00 0.00 52.55 53.62 3krg s ASP 63 Cb -0.22 -2.52 0.35 0.00 -1.46 0.00 0.00 42.92 39.07 3krg s ASP 63 CO 0.01 -0.62 1.38 0.24 0.52 0.00 0.00 175.17 176.69 3krg h MET 64 N 7.46 0.00 -3.42 4.34 2.86 -1.41 -3.39 114.93 121.36 3krg h MET 64 Ca -0.21 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.70 3krg h MET 64 Cb 1.07 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 32.62 3krg h MET 64 CO 0.95 0.00 2.47 0.09 1.06 0.00 0.00 176.91 181.48 3krg n ASN 65 N -2.42 5.57 -3.97 1.22 3.02 -1.26 -4.31 115.26 113.10 3krg n ASN 65 Ca 0.03 -3.02 -0.09 0.00 -0.03 0.00 0.00 54.58 51.47 3krg n ASN 65 Cb 0.48 -1.50 -0.10 0.00 -0.61 0.00 0.00 39.78 38.04 3krg n ASN 65 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3krg s VAL 66 N 0.87 0.14 0.17 2.41 -7.23 -1.26 -0.90 120.40 114.61 3krg s VAL 66 Ca 0.46 -1.19 -0.02 0.00 -1.81 0.00 0.00 61.98 59.42 3krg s VAL 66 Cb 0.13 -0.85 0.04 0.00 0.56 0.00 0.00 36.38 36.26 3krg s VAL 66 CO -0.04 -0.65 0.23 -0.90 -0.31 0.00 0.00 175.10 173.43 3krg n ASP 67 N 0.87 0.12 0.01 4.85 5.68 -0.08 -4.85 116.55 123.15 3krg n ASP 67 Ca -0.19 -1.15 0.07 0.00 -0.50 0.00 0.00 54.79 53.01 3krg n ASP 67 Cb 0.58 -0.17 0.29 0.00 -1.14 0.00 0.00 41.12 40.68 3krg n ASP 67 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3krg n ASP 68 N -3.09 0.05 -0.92 -1.12 8.00 -1.26 -1.05 116.55 117.16 3krg n ASP 68 Ca 0.03 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.12 3krg n ASP 68 Cb 0.11 -0.52 0.23 0.00 -0.02 0.00 0.00 41.12 40.92 3krg n ASP 68 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3krg n ASN 69 N -1.56 3.60 -0.39 -2.24 3.02 -1.26 -4.96 115.26 111.47 3krg n ASN 69 Ca 0.03 -2.39 -0.05 0.00 -0.03 0.00 0.00 54.58 52.14 3krg n ASN 69 Cb 0.15 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 3krg n ASN 69 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3krg n LEU 70 N 0.36 -0.26 -4.71 3.41 4.77 -0.22 -4.99 117.00 115.36 3krg n LEU 70 Ca 0.18 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.86 3krg n LEU 70 Cb 0.66 -1.31 -0.03 0.00 -2.33 0.00 0.00 43.42 40.41 3krg n LEU 70 CO 0.13 -0.38 0.83 -0.75 -1.33 0.00 0.00 177.39 175.89 3krg s LYS 71 N -2.03 4.46 0.32 3.23 2.20 -1.26 -4.69 119.74 121.97 3krg s LYS 71 Ca 0.00 1.65 -0.29 0.00 -0.36 0.00 0.00 55.97 56.98 3krg s LYS 71 Cb 0.00 -3.41 -0.13 0.00 -1.51 0.00 0.00 37.83 32.79 3krg s LYS 71 CO 0.00 -0.22 1.30 -2.30 -0.36 0.00 0.00 175.35 173.77 3krg n PRO 72 N 4.09 2.08 -5.23 4.03 -0.02 -1.26 -0.90 135.00 137.78 3krg n PRO 72 Ca 0.08 0.73 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 3krg n PRO 72 Cb 0.48 -2.32 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 3krg n PRO 72 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3krg s LEU 73 N -0.70 2.15 0.00 2.45 1.43 -0.08 -4.85 118.68 119.08 3krg s LEU 73 Ca 0.58 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 3krg s LEU 73 Cb -0.59 -1.39 0.00 0.00 0.03 0.00 0.00 46.19 44.24 3krg s LEU 73 CO 0.59 0.27 0.00 0.61 0.23 0.00 0.00 176.35 178.05 3krg n GLY 74 N 2.79 6.22 0.14 -3.19 0.00 -1.26 -4.78 105.19 105.10 3krg n GLY 74 Ca -0.17 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 3krg n GLY 74 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3krg h LEU 75 N 0.00 -0.30 -1.75 0.99 6.46 -1.99 -1.80 115.31 116.93 3krg h LEU 75 Ca 0.00 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 3krg h LEU 75 Cb 0.00 0.20 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 3krg h LEU 75 CO 0.00 -0.11 -0.04 0.78 -0.62 0.00 0.00 178.44 178.46 3krg h ASN 76 N -0.00 0.00 0.70 1.25 2.35 -1.96 -1.14 115.58 116.78 3krg h ASN 76 Ca 0.15 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.67 3krg h ASN 76 Cb 0.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3krg h ASN 76 CO -0.33 0.04 -1.05 0.44 -1.65 0.00 0.00 177.43 174.88 3krg h ASP 77 N 0.00 0.26 1.06 5.81 3.32 -1.72 -3.31 116.42 121.84 3krg h ASP 77 Ca -0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3krg h ASP 77 Cb 0.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3krg h ASP 77 CO 0.00 1.14 -0.97 1.88 -1.72 0.00 0.00 179.24 179.58 3krg h TYR 78 N 0.07 0.00 -2.85 4.55 0.05 -1.18 -3.48 116.97 114.12 3krg h TYR 78 Ca -0.07 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.19 3krg h TYR 78 Cb 1.75 0.00 0.07 0.00 1.01 0.00 0.00 36.73 39.55 3krg h TYR 78 CO 0.04 0.18 0.98 1.17 -1.05 0.00 0.00 178.16 179.48 3krg n LYS 79 N -2.81 2.78 -2.03 4.88 4.81 -0.47 -4.60 118.16 120.72 3krg n LYS 79 Ca -0.02 1.00 -0.39 0.00 -0.87 0.00 0.00 58.31 58.03 3krg n LYS 79 Cb 0.63 -2.83 -0.00 0.00 0.02 0.00 0.00 35.03 32.85 3krg n LYS 79 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3krg s ASP 80 N 0.98 6.25 0.55 3.14 2.15 -1.26 -4.90 116.67 123.58 3krg s ASP 80 Ca 0.72 2.67 0.28 0.00 0.43 0.00 0.00 52.55 56.65 3krg s ASP 80 Cb -0.50 -2.64 1.46 0.00 -0.30 0.00 0.00 42.92 40.95 3krg s ASP 80 CO 0.37 -0.90 1.94 -0.65 -0.17 0.00 0.00 175.17 175.76 3krg h PRO 81 N 2.60 0.00 -0.00 4.34 0.11 -1.93 -1.61 132.00 135.51 3krg h PRO 81 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3krg h PRO 81 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3krg h PRO 81 CO 0.62 0.00 -0.42 0.39 -0.21 0.00 0.00 178.00 178.38 3krg n GLU 82 N -4.11 0.40 -3.04 1.05 1.02 -1.26 -4.91 120.64 109.78 3krg n GLU 82 Ca 0.12 -0.24 -0.39 0.00 -0.02 0.00 0.00 57.16 56.62 3krg n GLU 82 Cb 0.72 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.59 3krg n GLU 82 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3krg s TYR 83 N -2.77 3.84 -0.13 -0.32 5.04 -0.61 -4.82 117.35 117.59 3krg s TYR 83 Ca 0.17 1.51 -0.05 0.00 -2.44 0.00 0.00 57.07 56.26 3krg s TYR 83 Cb 0.18 -2.72 0.06 0.00 0.35 0.00 0.00 41.96 39.83 3krg s TYR 83 CO 0.63 0.47 0.28 0.34 -1.34 0.00 0.00 175.55 175.93 3krg s ASP 84 N -0.85 0.05 0.18 4.32 -1.08 -1.26 -4.83 116.67 113.20 3krg s ASP 84 Ca 0.35 0.63 -0.14 0.00 -0.52 0.00 0.00 52.55 52.87 3krg s ASP 84 Cb -0.22 0.67 0.16 0.00 -1.46 0.00 0.00 42.92 42.08 3krg s ASP 84 CO 0.24 -0.21 1.70 0.25 0.52 0.00 0.00 175.17 177.67 3krg h LEU 85 N 7.86 -0.09 -0.99 -1.34 5.85 -1.99 0.74 115.31 125.35 3krg h LEU 85 Ca -0.24 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.49 3krg h LEU 85 Cb 1.13 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 3krg h LEU 85 CO 0.22 -0.01 -0.14 0.44 -0.34 0.00 0.00 178.44 178.60 3krg h ASP 86 N 0.17 0.55 0.42 1.25 3.32 -1.99 -0.44 116.42 119.69 3krg h ASP 86 Ca 0.23 -0.16 -0.20 0.00 0.02 0.00 0.00 57.03 56.93 3krg h ASP 86 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3krg h ASP 86 CO -0.34 0.72 -0.84 0.11 -1.72 0.00 0.00 179.24 177.17 3krg h LYS 87 N 0.52 0.31 -0.11 3.56 1.57 -1.85 -1.16 116.57 119.40 3krg h LYS 87 Ca 0.09 -0.30 0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3krg h LYS 87 Cb 0.55 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3krg h LYS 87 CO 0.03 0.98 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.94 3krg h TYR 88 N 0.19 -0.09 -0.70 -1.35 5.03 -0.49 0.13 116.97 119.69 3krg h TYR 88 Ca -0.05 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.25 3krg h TYR 88 Cb 1.44 0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.75 3krg h TYR 88 CO 0.04 -0.06 0.32 -0.07 -1.32 0.00 0.00 178.16 177.07 3krg h LEU 89 N -0.02 0.90 -0.32 2.82 3.38 -1.01 -1.92 115.31 119.14 3krg h LEU 89 Ca 0.06 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 3krg h LEU 89 Cb 0.11 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3krg h LEU 89 CO -0.13 0.77 -0.51 0.50 0.09 0.00 0.00 178.44 179.17 3krg h LYS 90 N 0.99 0.90 -0.79 1.13 3.64 -0.96 -2.15 116.57 119.34 3krg h LYS 90 Ca 0.24 -0.55 -0.00 0.00 -1.27 0.00 0.00 60.65 59.07 3krg h LYS 90 Cb 0.12 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 3krg h LYS 90 CO -0.03 1.19 0.48 0.00 -2.27 0.00 0.00 179.45 178.82 3krg h ALA 91 N 0.71 1.00 -0.38 5.00 0.00 -0.41 -3.30 119.26 121.88 3krg h ALA 91 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3krg h ALA 91 Cb 1.11 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3krg h ALA 91 CO 0.12 0.46 0.00 0.66 0.00 0.00 0.00 179.25 180.48 3krg n TYR 92 N -4.49 0.51 -1.69 0.00 4.01 -0.75 -4.52 117.16 110.23 3krg n TYR 92 Ca 0.08 -0.38 -0.54 0.00 -0.16 0.00 0.00 57.90 56.90 3krg n TYR 92 Cb 0.05 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 39.00 3krg n TYR 92 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3krg n ASP 93 N 0.95 2.58 0.04 7.72 -0.08 -0.81 -4.72 116.55 122.23 3krg n ASP 93 Ca 0.15 1.06 0.22 0.00 -1.51 0.00 0.00 54.79 54.70 3krg n ASP 93 Cb 0.48 -1.21 0.73 0.00 2.34 0.00 0.00 41.12 43.46 3krg n ASP 93 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3krg h PRO 94 N 7.34 0.00 -0.22 -0.67 0.11 -1.91 0.22 132.00 136.87 3krg h PRO 94 Ca -0.47 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3krg h PRO 94 Cb 1.31 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.41 3krg h PRO 94 CO 0.94 0.00 0.11 1.03 -0.21 0.00 0.00 178.00 179.87 3krg h SER 95 N 0.00 0.26 0.00 -2.05 0.87 -1.87 -0.87 113.55 109.89 3krg h SER 95 Ca 0.24 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 3krg h SER 95 Cb 1.25 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3krg h SER 95 CO -0.00 0.22 -0.94 0.35 -0.53 0.00 0.00 176.83 175.93 3krg n THR 96 N -4.47 0.00 0.05 2.23 -2.24 -0.32 -4.74 114.28 104.78 3krg n THR 96 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 3krg n THR 96 Cb 0.10 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 67.87 3krg n THR 96 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 3krg n TRP 97 N -1.71 0.83 -4.37 4.78 -0.00 0.61 -5.04 117.44 112.54 3krg n TRP 97 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 57.50 57.76 3krg n TRP 97 Cb 0.29 -0.98 0.00 0.00 -0.00 0.00 0.00 31.31 30.62 3krg n TRP 97 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3krg n GLY 98 N 1.32 -0.07 1.04 5.87 0.00 -0.33 -4.18 105.19 108.85 3krg n GLY 98 Ca -0.07 -0.98 0.09 0.00 0.00 0.00 0.00 46.02 45.06 3krg n GLY 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krg n LYS 99 N 0.00 2.95 -1.84 1.61 5.02 -1.26 -4.41 118.16 120.24 3krg n LYS 99 Ca 0.00 -2.44 -0.32 0.00 -2.02 0.00 0.00 58.31 53.53 3krg n LYS 99 Cb 0.00 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.54 3krg n LYS 99 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3krg s LYS 100 N -1.24 3.08 0.34 1.97 -2.85 -1.26 -4.56 119.74 115.22 3krg s LYS 100 Ca 0.38 1.17 -0.29 0.00 -1.00 0.00 0.00 55.97 56.23 3krg s LYS 100 Cb 0.21 -2.00 -0.11 0.00 -2.06 0.00 0.00 37.83 33.88 3krg s LYS 100 CO 0.23 -1.00 1.40 -2.00 0.10 0.00 0.00 175.35 174.07 3krg s GLU 101 N -4.37 4.25 0.40 1.78 2.12 -1.26 -4.77 118.70 116.84 3krg s GLU 101 Ca 0.62 2.37 -0.27 0.00 0.36 0.00 0.00 54.97 58.06 3krg s GLU 101 Cb -0.16 -3.03 -0.10 0.00 0.26 0.00 0.00 34.13 31.09 3krg s GLU 101 CO 0.43 -0.35 1.39 -2.30 -0.54 0.00 0.00 175.26 173.88 3krg n PRO 102 N 0.83 2.30 -3.79 4.30 -0.02 -1.26 -4.99 135.00 132.36 3krg n PRO 102 Ca 0.01 0.81 -0.09 0.00 -2.02 0.00 0.00 63.50 62.22 3krg n PRO 102 Cb 0.41 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 3krg n PRO 102 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3krg s SER 103 N -0.34 -0.28 0.00 2.55 1.04 -1.26 -4.97 113.70 110.44 3krg s SER 103 Ca 0.57 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3krg s SER 103 Cb -0.49 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3krg s SER 103 CO 0.61 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 174.25 3krg n GLY 104 N -0.41 -1.79 0.24 7.32 0.00 -1.26 -4.65 105.19 104.64 3krg n GLY 104 Ca -0.07 -1.91 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 3krg n GLY 104 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3krg h THR 105 N 0.00 0.56 -0.26 2.61 2.02 -2.00 -0.07 112.91 115.78 3krg h THR 105 Ca 0.00 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 3krg h THR 105 Cb 0.00 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3krg h THR 105 CO 0.00 0.00 -0.07 1.56 0.37 0.00 0.00 175.52 177.38 3krg h GLN 106 N -0.39 0.50 -0.94 6.66 1.08 -1.87 -1.05 115.11 119.09 3krg h GLN 106 Ca 0.02 -0.19 0.01 0.00 -1.45 0.00 0.00 58.65 57.04 3krg h GLN 106 Cb 0.40 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.75 3krg h GLN 106 CO -0.09 0.72 0.62 1.49 -0.95 0.00 0.00 178.83 180.63 3krg h GLU 107 N 0.25 1.22 -0.74 1.46 4.57 -1.78 0.22 114.58 119.78 3krg h GLU 107 Ca 0.06 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.13 3krg h GLU 107 Cb 0.54 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.82 3krg h GLU 107 CO 0.03 0.81 0.29 0.93 -1.18 0.00 0.00 179.01 179.89 3krg h GLU 108 N 1.26 1.11 -0.37 1.92 5.08 -0.86 -0.36 114.58 122.37 3krg h GLU 108 Ca 0.35 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3krg h GLU 108 Cb -0.12 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3krg h GLU 108 CO -0.08 0.91 -0.19 0.00 -1.00 0.00 0.00 179.01 178.64 3krg h ALA 109 N 1.15 0.98 -0.49 3.43 0.00 -0.66 -2.03 119.26 121.63 3krg h ALA 109 Ca 0.25 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3krg h ALA 109 Cb 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3krg h ALA 109 CO -0.02 0.60 0.17 -0.09 0.00 0.00 0.00 179.25 179.91 3krg h ARG 110 N 0.62 0.76 -0.65 0.00 2.43 -0.32 -1.45 114.38 115.76 3krg h ARG 110 Ca 0.09 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3krg h ARG 110 Cb 0.67 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3krg h ARG 110 CO 0.05 0.70 0.39 0.00 -1.51 0.00 0.00 179.97 179.60 3krg h ALA 111 N 1.02 0.82 -0.53 2.80 0.00 -0.87 -0.14 119.26 122.37 3krg h ALA 111 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3krg h ALA 111 Cb 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3krg h ALA 111 CO -0.01 0.30 -0.03 0.00 0.00 0.00 0.00 179.25 179.51 3krg h ARG 112 N 0.88 0.93 -0.53 0.00 3.08 -1.26 -1.77 114.38 115.71 3krg h ARG 112 Ca 0.23 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3krg h ARG 112 Cb -0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 3krg h ARG 112 CO -0.04 0.94 0.35 0.77 -1.07 0.00 0.00 179.97 180.91 3krg h SER 113 N 0.85 0.61 -0.17 7.04 0.02 -0.64 -1.91 113.55 119.35 3krg h SER 113 Ca 0.15 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.03 3krg h SER 113 Cb 0.54 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3krg h SER 113 CO 0.03 0.44 -0.06 -0.61 -1.14 0.00 0.00 176.83 175.48 3krg h GLN 114 N 0.72 0.50 0.00 3.45 4.15 -0.73 -2.19 115.11 121.00 3krg h GLN 114 Ca 0.19 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 3krg h GLN 114 Cb -0.08 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 3krg h GLN 114 CO -0.04 0.57 -0.38 0.87 -1.93 0.00 0.00 178.83 177.92 3krg h LYS 115 N 0.47 0.00 -0.47 1.69 1.57 -0.76 -1.09 116.57 117.97 3krg h LYS 115 Ca 0.09 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 3krg h LYS 115 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3krg h LYS 115 CO 0.02 0.38 0.01 -0.91 -0.57 0.00 0.00 179.45 178.38 3krg h ASN 116 N 0.00 0.80 -0.22 0.86 2.35 -0.73 -2.24 115.58 116.40 3krg h ASN 116 Ca -0.00 -0.30 -0.17 0.00 -0.55 0.00 0.00 56.30 55.27 3krg h ASN 116 Cb 0.82 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 3krg h ASN 116 CO 0.05 0.91 -0.52 -0.61 -1.65 0.00 0.00 177.43 175.61 3krg h GLN 117 N 0.67 0.80 -0.95 0.81 4.15 -1.21 -3.20 115.11 116.19 3krg h GLN 117 Ca 0.13 -0.49 0.08 0.00 0.77 0.00 0.00 58.65 59.14 3krg h GLN 117 Cb 0.49 0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.17 3krg h GLN 117 CO 0.02 1.12 0.61 -0.22 -1.93 0.00 0.00 178.83 178.44 3krg h LYS 118 N 0.62 1.00 0.00 1.69 3.64 -1.00 -0.01 116.57 122.52 3krg h LYS 118 Ca 0.02 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 3krg h LYS 118 Cb 1.11 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 3krg h LYS 118 CO 0.11 0.66 -0.05 0.00 -2.27 0.00 0.00 179.45 177.91 3krg h ALA 119 N 1.51 1.60 0.12 5.00 0.00 -1.40 -1.53 119.26 124.55 3krg h ALA 119 Ca 0.43 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.93 3krg h ALA 119 Cb 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3krg h ALA 119 CO -0.18 0.06 -1.99 0.54 0.00 0.00 0.00 179.25 177.67 3krg n ARG 120 N -4.01 0.75 0.01 0.00 5.12 -0.13 -4.68 116.66 113.73 3krg n ARG 120 Ca -0.03 0.27 0.01 0.00 -1.93 0.00 0.00 57.85 56.17 3krg n ARG 120 Cb 0.13 -1.71 -0.10 0.00 -1.16 0.00 0.00 32.46 29.63 3krg n ARG 120 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 3krg n VAL 121 N -3.50 0.97 -3.58 1.55 0.24 -0.54 -4.81 118.33 108.66 3krg n VAL 121 Ca -0.32 -0.67 -0.36 0.00 -2.04 0.00 0.00 64.34 60.94 3krg n VAL 121 Cb 1.04 -0.54 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 3krg n VAL 121 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3krg s MET 122 N -3.00 4.20 0.01 7.34 -2.45 -0.61 -1.32 119.30 123.46 3krg s MET 122 Ca -0.05 -0.03 0.02 0.00 -1.25 0.00 0.00 55.69 54.39 3krg s MET 122 Cb 0.09 -3.46 -0.01 0.00 1.25 0.00 0.00 34.83 32.70 3krg s MET 122 CO 0.83 0.19 -0.08 0.14 1.05 0.00 0.00 175.02 177.14 3krg s VAL 123 N 0.66 0.62 -0.01 10.11 -7.23 -0.82 -4.84 120.40 118.88 3krg s VAL 123 Ca 0.13 -0.49 -0.16 0.00 -1.81 0.00 0.00 61.98 59.65 3krg s VAL 123 Cb -0.13 -0.55 -0.06 0.00 0.56 0.00 0.00 36.38 36.21 3krg s VAL 123 CO 0.03 0.06 0.43 -1.81 -0.31 0.00 0.00 175.10 173.51 3krg s ASP 124 N -0.48 6.82 -0.27 4.85 1.01 -1.26 -0.19 116.67 127.15 3krg s ASP 124 Ca 0.01 0.97 -0.11 0.00 0.71 0.00 0.00 52.55 54.13 3krg s ASP 124 Cb -0.04 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.57 3krg s ASP 124 CO -0.00 0.27 0.18 -0.63 0.21 0.00 0.00 175.17 175.20 3krg s ILE 125 N -0.80 5.26 0.73 0.77 -1.09 -0.20 -4.91 121.20 120.96 3krg s ILE 125 Ca 0.24 0.15 -0.11 0.00 -2.23 0.00 0.00 60.65 58.70 3krg s ILE 125 Cb -0.17 -3.49 0.03 0.00 -1.58 0.00 0.00 42.46 37.25 3krg s ILE 125 CO 0.13 0.27 1.08 -2.16 -1.23 0.00 0.00 174.94 173.03 3krg s PRO 126 N 1.65 2.65 0.63 2.79 0.04 -1.26 -4.33 135.00 137.17 3krg s PRO 126 Ca 0.07 0.68 -0.18 0.00 0.04 0.00 0.00 61.00 61.61 3krg s PRO 126 Cb -0.16 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3krg s PRO 126 CO 0.10 -1.23 1.09 0.00 0.04 0.00 0.00 177.00 177.00 3krg n ALA 127 N -3.18 0.52 -3.10 8.56 0.00 -1.26 -3.90 120.51 118.14 3krg n ALA 127 Ca 0.07 -0.02 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 3krg n ALA 127 Cb 0.56 -2.19 0.07 0.00 0.00 0.00 0.00 19.45 17.88 3krg n ALA 127 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3krg n ASN 128 N -1.32 -3.49 -4.05 0.00 3.02 -0.61 -4.52 115.26 104.30 3krg n ASN 128 Ca 0.15 -0.54 -0.23 0.00 -0.03 0.00 0.00 54.58 53.92 3krg n ASN 128 Cb 0.48 -4.38 -0.16 0.00 -0.61 0.00 0.00 39.78 35.11 3krg n ASN 128 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3krg s THR 129 N -3.31 1.07 -0.15 3.41 2.01 -0.70 -1.36 115.64 116.60 3krg s THR 129 Ca 0.15 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.65 3krg s THR 129 Cb -0.02 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.55 3krg s THR 129 CO 0.61 0.32 -0.15 -0.89 -0.69 0.00 0.00 174.62 173.82 3krg s THR 130 N 0.26 2.69 -0.17 -0.82 2.01 -0.35 -1.16 115.64 118.11 3krg s THR 130 Ca -0.06 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.18 3krg s THR 130 Cb -0.11 -2.13 0.01 0.00 0.01 0.00 0.00 72.50 70.27 3krg s THR 130 CO 0.02 0.51 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.66 3krg s ILE 131 N 0.78 2.37 0.03 1.82 1.01 0.44 -0.15 121.20 127.50 3krg s ILE 131 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.75 3krg s ILE 131 Cb -0.15 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.30 3krg s ILE 131 CO 0.00 0.52 -0.05 0.68 0.00 0.00 0.00 174.94 176.09 3krg s VAL 132 N 1.09 0.31 0.22 2.92 -7.23 -0.28 -1.32 120.40 116.11 3krg s VAL 132 Ca -0.00 -1.01 -0.30 0.00 -1.81 0.00 0.00 61.98 58.86 3krg s VAL 132 Cb -0.14 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.26 3krg s VAL 132 CO -0.06 -0.46 0.98 -0.83 -0.31 0.00 0.00 175.10 174.42 3krg s GLY 133 N -1.55 3.08 0.13 2.32 0.00 -0.27 -0.83 107.32 110.20 3krg s GLY 133 Ca -0.13 0.67 -0.27 0.00 0.00 0.00 0.00 44.72 44.99 3krg s GLY 133 CO -0.01 1.30 0.84 -0.56 0.00 0.00 0.00 173.10 174.68 3krg s SER 134 N -0.90 7.40 0.73 1.64 0.01 0.54 -4.83 113.70 118.28 3krg s SER 134 Ca 0.43 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.35 3krg s SER 134 Cb -0.27 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3krg s SER 134 CO 0.33 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.68 3krg n GLY 135 N 1.95 0.58 0.60 3.44 0.00 -1.26 -3.95 105.19 106.54 3krg n GLY 135 Ca -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.28 3krg n GLY 135 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3krg n THR 136 N 0.00 0.22 -1.91 2.61 -2.24 -1.26 -4.60 114.28 107.09 3krg n THR 136 Ca 0.00 -0.61 0.05 0.00 -2.27 0.00 0.00 64.05 61.22 3krg n THR 136 Cb 0.00 1.11 0.10 0.00 -2.10 0.00 0.00 70.33 69.44 3krg n THR 136 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3krg n ASN 137 N 0.76 1.29 -4.72 3.42 6.94 -1.26 -4.33 115.26 117.36 3krg n ASN 137 Ca 0.09 -2.82 -0.42 0.00 -0.02 0.00 0.00 54.58 51.41 3krg n ASN 137 Cb 0.37 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.37 3krg n ASN 137 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3krg s ALA 138 N -1.54 3.36 0.01 -2.53 0.00 -1.25 -4.29 121.76 115.52 3krg s ALA 138 Ca 0.30 0.81 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3krg s ALA 138 Cb 0.31 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 3krg s ALA 138 CO -0.08 -0.38 -0.02 0.15 0.00 0.00 0.00 175.76 175.42 3krg s LYS 139 N 0.85 0.18 -0.21 0.00 1.02 -0.19 -1.51 119.74 119.89 3krg s LYS 139 Ca 0.57 -0.27 0.01 0.00 0.02 0.00 0.00 55.97 56.29 3krg s LYS 139 Cb -0.29 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 37.03 3krg s LYS 139 CO 0.30 -0.00 -0.16 0.08 -0.92 0.00 0.00 175.35 174.65 3krg s VAL 140 N -0.59 2.25 -0.19 3.17 1.01 -0.33 -0.70 120.40 125.02 3krg s VAL 140 Ca -0.06 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 3krg s VAL 140 Cb -0.04 -2.05 -0.00 0.00 0.00 0.00 0.00 36.38 34.28 3krg s VAL 140 CO -0.00 0.38 -0.10 -0.69 0.00 0.00 0.00 175.10 174.68 3krg s VAL 141 N 1.26 2.96 0.00 2.92 1.01 0.11 -1.11 120.40 127.56 3krg s VAL 141 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.35 3krg s VAL 141 Cb -0.15 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.93 3krg s VAL 141 CO -0.10 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.09 3krg n GLY 142 N 4.47 2.79 3.84 4.51 0.00 -0.17 -1.03 105.19 119.60 3krg n GLY 142 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3krg n GLY 142 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krg s GLY 143 N -1.99 1.95 -0.30 -0.02 0.00 -1.26 -4.36 107.32 101.34 3krg s GLY 143 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 3krg s GLY 143 CO 0.00 0.43 0.07 0.21 0.00 0.00 0.00 173.10 173.81 3krg s ASN 144 N -3.34 4.06 0.17 1.64 3.04 -0.44 -4.48 114.94 115.59 3krg s ASN 144 Ca 0.59 -1.62 -0.30 0.00 0.04 0.00 0.00 52.86 51.56 3krg s ASN 144 Cb -0.11 -1.01 -0.08 0.00 -1.54 0.00 0.00 41.25 38.50 3krg s ASN 144 CO 0.39 -0.38 1.27 -0.36 -3.04 0.00 0.00 177.10 174.98 3krg s PHE 145 N 1.49 3.33 -0.10 0.43 0.40 -0.14 -1.95 117.98 121.44 3krg s PHE 145 Ca 0.08 1.27 0.03 0.00 -0.60 0.00 0.00 56.93 57.70 3krg s PHE 145 Cb -0.18 -3.54 -0.01 0.00 0.51 0.00 0.00 43.02 39.81 3krg s PHE 145 CO -0.19 -1.65 -0.21 -1.14 0.70 0.00 0.00 175.22 172.73 3krg s GLN 146 N 0.11 3.01 -0.29 0.44 0.74 0.74 -0.45 119.66 123.95 3krg s GLN 146 Ca 0.56 -0.82 0.02 0.00 0.05 0.00 0.00 55.36 55.17 3krg s GLN 146 Cb -0.34 -2.37 0.07 0.00 1.10 0.00 0.00 33.01 31.47 3krg s GLN 146 CO 0.36 0.26 -0.04 0.42 -0.55 0.00 0.00 175.29 175.74 3krg s ILE 147 N 0.17 2.45 -1.06 -2.34 1.01 0.72 -1.03 121.20 121.12 3krg s ILE 147 Ca -0.12 -1.74 0.18 0.00 0.00 0.00 0.00 60.65 58.98 3krg s ILE 147 Cb -0.16 -2.52 -0.15 0.00 0.01 0.00 0.00 42.46 39.64 3krg s ILE 147 CO 0.06 -0.19 0.81 0.29 0.00 0.00 0.00 174.94 175.91 3krg n LYS 148 N 4.45 1.18 -1.63 2.79 5.02 -1.26 -1.16 118.16 127.55 3krg n LYS 148 Ca -0.10 -0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 55.89 3krg n LYS 148 Cb 0.42 -1.35 0.04 0.00 -0.02 0.00 0.00 35.03 34.12 3krg n LYS 148 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3krg n SER 149 N -1.09 0.72 -4.60 4.39 3.41 -1.26 -3.82 113.62 111.36 3krg n SER 149 Ca 0.04 -1.56 -0.34 0.00 -0.26 0.00 0.00 58.87 56.76 3krg n SER 149 Cb 0.31 -0.22 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 3krg n SER 149 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3krg s ASP 150 N -2.57 4.80 0.00 4.04 2.15 -1.26 -1.69 116.67 122.14 3krg s ASP 150 Ca 0.26 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.26 3krg s ASP 150 Cb -0.02 -1.27 0.00 0.00 -0.30 0.00 0.00 42.92 41.34 3krg s ASP 150 CO 0.17 0.36 0.00 -3.20 -0.17 0.00 0.00 175.17 172.33 3krg n ASN 151 N 2.25 -1.76 -3.88 -0.34 5.15 -0.10 -2.47 115.26 114.11 3krg n ASN 151 Ca -0.18 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.65 3krg n ASN 151 Cb 0.53 -0.88 -0.15 0.00 -0.53 0.00 0.00 39.78 38.75 3krg n ASN 151 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3krg s VAL 152 N -2.86 0.21 -0.06 3.44 1.01 -0.53 -1.57 120.40 120.04 3krg s VAL 152 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3krg s VAL 152 Cb 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.16 3krg s VAL 152 CO 0.00 0.09 -0.16 -0.63 0.00 0.00 0.00 175.10 174.41 3krg s ILE 153 N 0.34 1.36 -0.11 2.22 1.01 -0.31 -1.12 121.20 124.59 3krg s ILE 153 Ca -0.03 -0.64 -0.00 0.00 0.00 0.00 0.00 60.65 59.98 3krg s ILE 153 Cb -0.06 -1.20 0.02 0.00 0.01 0.00 0.00 42.46 41.23 3krg s ILE 153 CO -0.01 0.40 -0.09 -0.63 0.00 0.00 0.00 174.94 174.62 3krg s ILE 154 N 0.38 1.08 0.02 2.92 1.01 0.01 -0.42 121.20 126.20 3krg s ILE 154 Ca -0.11 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.13 3krg s ILE 154 Cb -0.14 -1.08 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 3krg s ILE 154 CO 0.04 0.37 0.14 -0.13 0.00 0.00 0.00 174.94 175.36 3krg s ARG 155 N 1.60 0.56 -1.35 2.79 0.52 -0.43 -1.46 118.95 121.18 3krg s ARG 155 Ca 0.03 -0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 54.66 3krg s ARG 155 Cb -0.13 0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.58 3krg s ARG 155 CO -0.07 -0.14 0.53 -1.71 0.02 0.00 0.00 175.30 173.92 3krg n ASN 156 N 1.09 -5.52 -4.33 0.23 5.15 -0.47 -1.12 115.26 110.30 3krg n ASN 156 Ca -0.21 -0.25 -0.31 0.00 -0.60 0.00 0.00 54.58 53.21 3krg n ASN 156 Cb 0.57 -4.35 -0.16 0.00 -0.53 0.00 0.00 39.78 35.31 3krg n ASN 156 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3krg s ILE 157 N -3.09 2.20 -0.41 -1.44 1.01 -1.25 -3.14 121.20 115.09 3krg s ILE 157 Ca 0.26 -1.04 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 3krg s ILE 157 Cb -0.12 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3krg s ILE 157 CO 0.32 0.58 0.60 -0.70 0.00 0.00 0.00 174.94 175.75 3krg s GLU 158 N -0.54 3.38 -0.23 2.79 2.12 -0.57 -1.10 118.70 124.55 3krg s GLU 158 Ca 0.08 -0.31 -0.19 0.00 0.36 0.00 0.00 54.97 54.91 3krg s GLU 158 Cb -0.11 -3.91 -0.03 0.00 0.26 0.00 0.00 34.13 30.35 3krg s GLU 158 CO 0.00 -0.90 0.58 -0.06 -0.54 0.00 0.00 175.26 174.34 3krg s PHE 159 N 2.68 3.32 -0.08 5.30 0.40 0.12 -1.19 117.98 128.54 3krg s PHE 159 Ca 0.21 0.79 0.05 0.00 -0.60 0.00 0.00 56.93 57.38 3krg s PHE 159 Cb -0.15 -2.76 -0.01 0.00 0.51 0.00 0.00 43.02 40.61 3krg s PHE 159 CO 0.17 -0.22 -0.22 -0.65 0.70 0.00 0.00 175.22 174.99 3krg s GLN 160 N 2.09 2.79 -0.97 0.44 -0.21 -0.27 -1.59 119.66 121.94 3krg s GLN 160 Ca 0.25 -0.86 -0.05 0.00 0.02 0.00 0.00 55.36 54.72 3krg s GLN 160 Cb -0.16 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.53 3krg s GLN 160 CO 0.09 0.33 0.85 -3.47 -2.12 0.00 0.00 175.29 170.97 3krg n ASP 161 N 3.12 -6.86 -4.56 5.90 2.03 -0.36 -1.00 116.55 114.83 3krg n ASP 161 Ca -0.18 -0.57 -0.34 0.00 0.52 0.00 0.00 54.79 54.22 3krg n ASP 161 Cb 0.52 -5.09 -0.04 0.00 -0.72 0.00 0.00 41.12 35.79 3krg n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3krg s ALA 162 N -3.29 2.22 -0.21 -1.67 0.00 -1.26 -2.59 121.76 114.96 3krg s ALA 162 Ca 0.34 -1.87 -0.07 0.00 0.00 0.00 0.00 51.96 50.36 3krg s ALA 162 Cb -0.05 -4.53 -0.03 0.00 0.00 0.00 0.00 23.12 18.50 3krg s ALA 162 CO 0.75 -4.17 0.05 -0.47 0.00 0.00 0.00 175.76 171.93 3krg s TYR 163 N 7.40 3.15 -0.29 0.00 6.14 -1.26 -4.42 117.35 128.07 3krg s TYR 163 Ca 0.57 -0.18 -0.09 0.00 0.64 0.00 0.00 57.07 58.01 3krg s TYR 163 Cb -0.03 -2.13 -0.01 0.00 0.42 0.00 0.00 41.96 40.20 3krg s TYR 163 CO -0.05 -0.09 0.12 0.34 0.64 0.00 0.00 175.55 176.52 3krg s ASP 164 N 0.90 5.42 0.00 4.32 -1.08 0.10 -4.97 116.67 121.36 3krg s ASP 164 Ca 0.03 -0.42 0.18 0.00 -0.52 0.00 0.00 52.55 51.82 3krg s ASP 164 Cb -0.14 -1.98 0.83 0.00 -1.46 0.00 0.00 42.92 40.17 3krg s ASP 164 CO 0.02 -0.14 1.57 -1.22 0.52 0.00 0.00 175.17 175.93 3krg n TYR 165 N 4.96 0.00 -3.25 -5.34 4.01 -1.26 -4.16 117.16 112.12 3krg n TYR 165 Ca -0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.35 3krg n TYR 165 Cb 0.50 -0.42 -0.07 0.00 -0.31 0.00 0.00 39.34 39.04 3krg n TYR 165 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3krg n PHE 166 N -1.42 1.58 -1.82 -0.72 3.72 -1.26 -5.04 117.46 112.50 3krg n PHE 166 Ca 0.06 -3.85 -0.39 0.00 -0.05 0.00 0.00 57.45 53.22 3krg n PHE 166 Cb 0.19 -0.45 0.03 0.00 -0.94 0.00 0.00 39.48 38.31 3krg n PHE 166 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3krg s PRO 167 N -2.02 3.38 -0.14 -1.08 0.02 -1.26 -4.91 135.00 128.99 3krg s PRO 167 Ca 0.39 2.27 -0.09 0.00 0.02 0.00 0.00 61.00 63.58 3krg s PRO 167 Cb 0.19 -2.41 -0.05 0.00 0.02 0.00 0.00 34.50 32.26 3krg s PRO 167 CO -0.07 -1.01 0.17 -1.14 -0.33 0.00 0.00 177.00 174.62 3krg s GLN 168 N -2.72 3.79 0.05 5.54 0.74 0.06 -4.84 119.66 122.27 3krg s GLN 168 Ca 0.67 -0.09 -0.29 0.00 0.05 0.00 0.00 55.36 55.71 3krg s GLN 168 Cb -0.41 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 3krg s GLN 168 CO 0.50 0.57 0.92 -0.46 -0.55 0.00 0.00 175.29 176.27 3krg s TRP 169 N -0.47 3.73 -0.30 1.67 -0.00 -1.26 -0.18 118.94 122.13 3krg s TRP 169 Ca 0.14 1.67 -0.01 0.00 -0.00 0.00 0.00 56.10 57.89 3krg s TRP 169 Cb -0.12 -3.02 0.10 0.00 -0.00 0.00 0.00 33.47 30.42 3krg s TRP 169 CO 0.03 0.13 0.09 0.34 -0.00 0.00 0.00 176.95 177.54 3krg s ASP 170 N 0.43 3.89 0.38 5.86 -1.08 -0.38 -4.58 116.67 121.19 3krg s ASP 170 Ca 0.47 -1.53 0.27 0.00 -0.52 0.00 0.00 52.55 51.24 3krg s ASP 170 Cb -0.22 -0.81 1.30 0.00 -1.46 0.00 0.00 42.92 41.73 3krg s ASP 170 CO 0.27 -0.40 1.82 1.55 0.52 0.00 0.00 175.17 178.93 3krg h PRO 171 N 8.12 0.00 -0.10 4.34 0.13 -1.86 -1.04 132.00 141.60 3krg h PRO 171 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3krg h PRO 171 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3krg h PRO 171 CO 0.46 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.48 3krg n THR 172 N -2.48 0.12 -2.71 1.56 -2.24 -1.26 -3.14 114.28 104.13 3krg n THR 172 Ca -0.00 -0.56 -0.43 0.00 -2.27 0.00 0.00 64.05 60.79 3krg n THR 172 Cb 0.15 1.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 3krg n THR 172 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krg s ALA 173 N -1.59 3.52 0.15 6.98 0.00 -1.04 -4.85 121.76 124.93 3krg s ALA 173 Ca 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3krg s ALA 173 Cb 0.17 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3krg s ALA 173 CO 0.25 -1.39 0.00 0.41 0.00 0.00 0.00 175.76 175.03 3krg n GLY 174 N 3.91 -1.70 0.28 0.00 0.00 -1.26 -0.92 105.19 105.51 3krg n GLY 174 Ca 0.10 -1.37 0.13 0.00 0.00 0.00 0.00 46.02 44.88 3krg n GLY 174 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3krg h SER 175 N -0.55 0.00 0.00 1.61 4.64 -1.94 -3.20 113.55 114.11 3krg h SER 175 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3krg h SER 175 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.57 3krg h SER 175 CO 0.01 0.03 -0.48 -1.20 -0.87 0.00 0.00 176.83 174.32 3krg n SER 176 N -3.93 0.88 0.00 4.97 7.64 -1.26 -5.08 113.62 116.84 3krg n SER 176 Ca -0.03 -2.42 0.00 0.00 1.01 0.00 0.00 58.87 57.43 3krg n SER 176 Cb 0.12 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3krg n SER 176 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3krg n GLY 177 N -0.35 -1.99 3.48 0.23 0.00 -0.10 -4.96 105.19 101.50 3krg n GLY 177 Ca 0.06 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.43 3krg n GLY 177 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3krg s ASN 178 N -4.33 -0.59 0.06 1.61 0.01 -0.42 -4.79 114.94 106.49 3krg s ASN 178 Ca 0.00 0.39 -0.13 0.00 -0.71 0.00 0.00 52.86 52.41 3krg s ASN 178 Cb 0.00 0.54 -0.06 0.00 0.41 0.00 0.00 41.25 42.14 3krg s ASN 178 CO 0.00 -0.74 0.44 0.26 -1.51 0.00 0.00 177.10 175.55 3krg s TRP 179 N -2.27 3.65 -0.01 2.20 0.52 -1.26 -1.25 118.94 120.52 3krg s TRP 179 Ca -0.05 0.93 0.03 0.00 0.02 0.00 0.00 56.10 57.03 3krg s TRP 179 Cb -0.00 -2.26 -0.00 0.00 -1.15 0.00 0.00 33.47 30.05 3krg s TRP 179 CO -0.00 0.55 -0.09 0.00 0.02 0.00 0.00 176.95 177.43 3krg s ALA 180 N -1.28 0.76 0.44 0.98 0.00 0.75 -4.57 121.76 118.83 3krg s ALA 180 Ca 0.30 -0.37 0.06 0.00 0.00 0.00 0.00 51.96 51.95 3krg s ALA 180 Cb -0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 3krg s ALA 180 CO 0.16 0.17 0.11 -1.12 0.00 0.00 0.00 175.76 175.09 3krg s SER 181 N -0.13 4.21 -0.02 0.00 0.01 -1.25 -0.76 113.70 115.77 3krg s SER 181 Ca 0.02 -1.27 0.15 0.00 1.31 0.00 0.00 55.95 56.16 3krg s SER 181 Cb -0.04 -0.24 -0.22 0.00 0.21 0.00 0.00 66.02 65.73 3krg s SER 181 CO -0.00 -0.60 0.41 0.00 0.41 0.00 0.00 173.24 173.45 3krg n GLN 182 N -1.19 0.84 -3.96 12.44 1.13 -1.26 -4.66 117.38 120.72 3krg n GLN 182 Ca -0.05 -0.11 -0.35 0.00 -1.94 0.00 0.00 57.00 54.55 3krg n GLN 182 Cb 0.66 -1.33 -0.11 0.00 0.11 0.00 0.00 30.24 29.57 3krg n GLN 182 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3krg s TYR 183 N -2.91 3.17 0.52 1.08 2.02 -1.26 -4.97 117.35 114.99 3krg s TYR 183 Ca -0.03 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 3krg s TYR 183 Cb 0.10 -2.13 0.03 0.00 -0.40 0.00 0.00 41.96 39.57 3krg s TYR 183 CO 0.63 -0.04 0.72 -0.51 -1.57 0.00 0.00 175.55 174.79 3krg s ASP 184 N 0.80 5.35 0.05 2.29 1.01 -1.26 -2.97 116.67 121.95 3krg s ASP 184 Ca 0.03 -0.16 -0.19 0.00 0.71 0.00 0.00 52.55 52.95 3krg s ASP 184 Cb -0.14 -0.75 -0.14 0.00 1.01 0.00 0.00 42.92 42.90 3krg s ASP 184 CO 0.02 -1.06 1.31 0.78 0.21 0.00 0.00 175.17 176.43 3krg h ASN 185 N 0.22 0.53 -3.43 0.27 4.21 -1.36 -3.36 115.58 112.65 3krg h ASN 185 Ca -0.41 -0.54 -0.39 0.00 1.21 0.00 0.00 56.30 56.17 3krg h ASN 185 Cb 1.29 -0.15 -0.35 0.00 -1.12 0.00 0.00 38.32 37.99 3krg h ASN 185 CO 0.49 0.97 -0.76 -0.63 -1.29 0.00 0.00 177.43 176.21 3krg s ILE 186 N -4.08 0.34 -0.19 2.81 1.01 -0.13 -0.97 121.20 119.99 3krg s ILE 186 Ca -0.13 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3krg s ILE 186 Cb 0.06 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 42.11 3krg s ILE 186 CO 0.79 0.20 -0.13 -0.89 0.00 0.00 0.00 174.94 174.91 3krg s THR 187 N 1.20 2.64 -0.46 2.92 2.01 0.40 -1.87 115.64 122.49 3krg s THR 187 Ca -0.07 -0.75 -0.14 0.00 0.31 0.00 0.00 61.69 61.04 3krg s THR 187 Cb -0.14 -2.15 0.07 0.00 0.01 0.00 0.00 72.50 70.30 3krg s THR 187 CO -0.02 0.49 0.37 -0.63 -0.69 0.00 0.00 174.62 174.14 3krg s ILE 188 N 1.30 5.04 -0.70 1.82 1.01 0.17 -0.20 121.20 129.65 3krg s ILE 188 Ca 0.04 -1.13 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 3krg s ILE 188 Cb -0.14 -4.02 0.18 0.00 0.01 0.00 0.00 42.46 38.48 3krg s ILE 188 CO -0.08 -0.56 0.53 0.21 0.00 0.00 0.00 174.94 175.04 3krg s ASN 189 N 2.51 5.36 0.00 3.58 2.47 -0.31 -0.90 114.94 127.65 3krg s ASN 189 Ca 0.04 -3.16 0.00 0.00 0.42 0.00 0.00 52.86 50.16 3krg s ASN 189 Cb -0.24 -1.85 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 3krg s ASN 189 CO 0.06 -0.30 0.00 0.61 -3.72 0.00 0.00 177.10 173.75 3krg n GLY 190 N 3.07 0.69 3.76 1.21 0.00 -0.12 -4.12 105.19 109.68 3krg n GLY 190 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 3krg n GLY 190 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krg s GLY 191 N -2.00 2.54 0.03 -0.02 0.00 -1.09 -4.47 107.32 102.31 3krg s GLY 191 Ca 0.00 0.86 -0.00 0.00 0.00 0.00 0.00 44.72 45.57 3krg s GLY 191 CO 0.00 1.23 -0.03 -0.51 0.00 0.00 0.00 173.10 173.79 3krg s THR 192 N -1.84 0.13 -0.63 0.90 -4.23 -0.68 -1.81 115.64 107.49 3krg s THR 192 Ca 0.74 -1.11 -0.10 0.00 -1.18 0.00 0.00 61.69 60.04 3krg s THR 192 Cb -0.27 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.05 3krg s THR 192 CO 0.35 -0.61 0.65 1.41 -0.54 0.00 0.00 174.62 175.88 3krg n HIS 193 N 1.27 -2.90 -4.64 3.99 8.25 -0.26 -0.92 115.22 120.00 3krg n HIS 193 Ca -0.22 1.15 -0.23 0.00 -0.26 0.00 0.00 57.72 58.17 3krg n HIS 193 Cb 0.56 -3.50 -0.15 0.00 1.12 0.00 0.00 29.99 28.02 3krg n HIS 193 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3krg s ILE 194 N -2.66 1.12 -0.15 1.59 1.01 -0.87 -1.45 121.20 119.79 3krg s ILE 194 Ca 0.13 -0.59 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3krg s ILE 194 Cb -0.03 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3krg s ILE 194 CO 0.80 0.32 -0.15 0.86 0.00 0.00 0.00 174.94 176.77 3krg s TRP 195 N -0.20 2.24 -0.27 3.97 -0.00 -0.28 -1.00 118.94 123.40 3krg s TRP 195 Ca 0.03 -1.26 -0.05 0.00 -0.00 0.00 0.00 56.10 54.82 3krg s TRP 195 Cb -0.07 -1.63 0.01 0.00 -0.00 0.00 0.00 33.47 31.78 3krg s TRP 195 CO -0.00 -0.68 0.02 0.42 -0.00 0.00 0.00 176.95 176.71 3krg s ILE 196 N 1.43 3.51 -0.04 5.86 1.01 -0.33 -0.81 121.20 131.83 3krg s ILE 196 Ca 0.04 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3krg s ILE 196 Cb -0.13 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.58 3krg s ILE 196 CO -0.10 0.17 0.11 -0.62 0.00 0.00 0.00 174.94 174.49 3krg s ASP 197 N 1.44 -0.10 -1.49 3.58 2.15 -0.54 -1.05 116.67 120.66 3krg s ASP 197 Ca 0.02 0.22 -0.12 0.00 0.43 0.00 0.00 52.55 53.10 3krg s ASP 197 Cb -0.17 0.19 0.07 0.00 -0.30 0.00 0.00 42.92 42.71 3krg s ASP 197 CO -0.01 -0.07 0.98 1.41 -0.17 0.00 0.00 175.17 177.32 3krg n HIS 198 N 3.37 -2.38 -3.89 -5.34 8.25 -0.79 -2.26 115.22 112.19 3krg n HIS 198 Ca -0.17 0.88 -0.21 0.00 -0.26 0.00 0.00 57.72 57.97 3krg n HIS 198 Cb 0.57 -4.15 -0.04 0.00 1.12 0.00 0.00 29.99 27.49 3krg n HIS 198 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3krg s THR 200 N -2.25 2.01 -0.10 0.00 2.01 -0.26 -0.84 115.64 116.20 3krg s THR 200 Ca 0.39 -1.25 -0.01 0.00 0.31 0.00 0.00 61.69 61.13 3krg s THR 200 Cb -0.06 -1.71 0.03 0.00 0.01 0.00 0.00 72.50 70.77 3krg s THR 200 CO 0.26 0.41 -0.04 -0.36 -0.69 0.00 0.00 174.62 174.20 3krg s PHE 201 N -0.72 1.19 0.29 4.92 0.08 0.14 0.16 117.98 124.04 3krg s PHE 201 Ca 0.10 -0.56 -0.04 0.00 0.12 0.00 0.00 56.93 56.55 3krg s PHE 201 Cb -0.10 -1.08 0.02 0.00 -0.57 0.00 0.00 43.02 41.29 3krg s PHE 201 CO 0.01 -0.46 0.46 0.27 -0.10 0.00 0.00 175.22 175.40 3krg n ASN 202 N 5.02 -1.30 -1.63 1.36 0.23 -0.62 -1.19 115.26 117.14 3krg n ASN 202 Ca -0.10 -2.44 0.09 0.00 -0.53 0.00 0.00 54.58 51.59 3krg n ASN 202 Cb 0.50 2.32 0.36 0.00 -2.08 0.00 0.00 39.78 40.87 3krg n ASN 202 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3krg n ASP 203 N -1.64 4.84 0.00 0.53 8.00 -1.21 -1.23 116.55 125.84 3krg n ASP 203 Ca -0.02 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.96 3krg n ASP 203 Cb 0.47 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 3krg n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3krg n GLY 204 N 1.04 2.78 0.10 0.44 0.00 -1.26 -1.97 105.19 106.32 3krg n GLY 204 Ca 0.26 -0.39 0.15 0.00 0.00 0.00 0.00 46.02 46.03 3krg n GLY 204 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3krg n SER 205 N 1.81 0.38 -3.07 1.61 7.64 -1.26 -4.39 113.62 116.33 3krg n SER 205 Ca 0.00 -0.61 -0.26 0.00 1.01 0.00 0.00 58.87 59.01 3krg n SER 205 Cb 0.00 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.06 3krg n SER 205 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3krg n ARG 206 N -0.96 2.76 -0.87 1.43 1.74 -0.83 -5.06 116.66 114.87 3krg n ARG 206 Ca 0.16 -4.61 -0.30 0.00 -0.77 0.00 0.00 57.85 52.33 3krg n ARG 206 Cb 0.25 -2.15 0.16 0.00 -1.02 0.00 0.00 32.46 29.71 3krg n ARG 206 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3krg s PRO 207 N -3.08 0.91 0.60 5.56 0.04 -1.25 -4.86 135.00 132.93 3krg s PRO 207 Ca 0.46 1.20 0.40 0.00 0.04 0.00 0.00 61.00 63.10 3krg s PRO 207 Cb 0.26 -1.74 2.10 0.00 0.04 0.00 0.00 34.50 35.16 3krg s PRO 207 CO -0.11 -2.59 2.22 -0.44 0.04 0.00 0.00 177.00 176.12 3krg h ASP 208 N -1.82 0.00 0.49 6.66 3.32 -1.91 -0.92 116.42 122.24 3krg h ASP 208 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3krg h ASP 208 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3krg h ASP 208 CO 0.48 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 3krg n SER 209 N -2.97 0.00 -0.94 6.45 3.41 -1.26 -2.16 113.62 116.15 3krg n SER 209 Ca -0.02 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.03 3krg n SER 209 Cb 0.11 -0.42 0.25 0.00 -0.26 0.00 0.00 64.21 63.89 3krg n SER 209 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3krg n THR 210 N -1.42 0.33 -3.80 6.66 -2.24 -0.35 -4.91 114.28 108.56 3krg n THR 210 Ca 0.06 -0.58 -0.36 0.00 -2.27 0.00 0.00 64.05 60.89 3krg n THR 210 Cb 0.18 0.88 -0.07 0.00 -2.10 0.00 0.00 70.33 69.22 3krg n THR 210 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3krg s SER 211 N -1.61 6.34 1.05 3.42 0.15 -0.92 -5.07 113.70 117.06 3krg s SER 211 Ca 0.35 0.40 -0.15 0.00 0.70 0.00 0.00 55.95 57.26 3krg s SER 211 Cb 0.21 -2.09 0.21 0.00 -1.71 0.00 0.00 66.02 62.64 3krg s SER 211 CO 0.30 0.31 1.12 -2.16 1.20 0.00 0.00 173.24 174.01 3krg s PRO 212 N -0.45 0.02 -0.14 5.44 0.04 -1.26 -4.74 135.00 133.92 3krg s PRO 212 Ca 0.13 0.24 -0.06 0.00 0.04 0.00 0.00 61.00 61.34 3krg s PRO 212 Cb -0.12 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 3krg s PRO 212 CO 0.02 -2.94 0.09 0.15 0.04 0.00 0.00 177.00 174.36 3krg s LYS 213 N -5.20 3.56 -0.03 4.56 1.02 -1.26 -1.21 119.74 121.18 3krg s LYS 213 Ca 0.67 -0.25 0.06 0.00 0.02 0.00 0.00 55.97 56.47 3krg s LYS 213 Cb -0.15 -3.14 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3krg s LYS 213 CO 0.56 0.58 -0.21 0.71 -0.92 0.00 0.00 175.35 176.08 3krg s TYR 214 N -0.49 1.93 -1.46 3.18 2.02 -0.17 -4.60 117.35 117.76 3krg s TYR 214 Ca 0.11 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 3krg s TYR 214 Cb -0.12 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3krg s TYR 214 CO 0.02 -0.11 0.00 0.66 -1.57 0.00 0.00 175.55 174.55 3krg n TYR 215 N 2.81 -0.99 -0.87 2.71 4.01 -1.26 -1.76 117.16 121.82 3krg n TYR 215 Ca -0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.57 3krg n TYR 215 Cb 0.53 -3.20 0.00 0.00 -0.31 0.00 0.00 39.34 36.36 3krg n TYR 215 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3krg n GLY 216 N -0.75 0.89 3.39 2.72 0.00 -1.26 -5.02 105.19 105.16 3krg n GLY 216 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3krg n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3krg s ARG 217 N -0.13 2.18 0.13 1.61 1.81 -0.72 -5.01 118.95 118.81 3krg s ARG 217 Ca 0.00 -0.89 -0.35 0.00 -1.72 0.00 0.00 55.73 52.77 3krg s ARG 217 Cb 0.00 -2.16 -0.15 0.00 -0.45 0.00 0.00 34.95 32.19 3krg s ARG 217 CO 0.00 0.57 1.45 1.17 -0.68 0.00 0.00 175.30 177.81 3krg n LYS 218 N 2.14 1.68 -2.67 3.54 4.81 -1.26 -1.00 118.16 125.40 3krg n LYS 218 Ca -0.16 0.61 -0.43 0.00 -0.87 0.00 0.00 58.31 57.45 3krg n LYS 218 Cb 0.52 -2.31 -0.01 0.00 0.02 0.00 0.00 35.03 33.25 3krg n LYS 218 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3krg s TYR 219 N 0.65 2.86 -0.43 5.64 5.04 -0.35 -4.28 117.35 126.48 3krg s TYR 219 Ca 0.81 -1.46 -0.28 0.00 -2.44 0.00 0.00 57.07 53.69 3krg s TYR 219 Cb -0.80 -4.62 0.02 0.00 0.35 0.00 0.00 41.96 36.91 3krg s TYR 219 CO 0.43 -1.75 1.09 -1.14 -1.34 0.00 0.00 175.55 172.83 3krg s GLN 220 N 3.87 3.81 0.00 4.97 2.00 -1.26 -4.77 119.66 128.28 3krg s GLN 220 Ca 0.48 0.67 0.26 0.00 -2.00 0.00 0.00 55.36 54.77 3krg s GLN 220 Cb 0.01 -3.85 0.63 0.00 0.80 0.00 0.00 33.01 30.60 3krg s GLN 220 CO -0.00 -1.21 1.49 0.72 -0.50 0.00 0.00 175.29 175.79 3krg n HIS 221 N 7.44 0.00 -4.17 1.67 8.25 -1.26 -3.94 115.22 123.21 3krg n HIS 221 Ca 0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.34 3krg n HIS 221 Cb 0.48 -0.14 -0.07 0.00 1.12 0.00 0.00 29.99 31.38 3krg n HIS 221 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3krg s HIS 222 N -2.62 2.66 0.00 4.41 3.76 -1.26 -0.72 115.29 121.51 3krg s HIS 222 Ca 0.21 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 3krg s HIS 222 Cb 0.19 -1.61 0.00 0.00 1.11 0.00 0.00 32.58 32.26 3krg s HIS 222 CO 0.57 0.37 0.00 -3.47 -0.85 0.00 0.00 174.74 171.36 3krg n ASP 223 N -1.10 0.00 -4.70 1.40 2.03 -1.16 -4.23 116.55 108.80 3krg n ASP 223 Ca -0.03 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.05 3krg n ASP 223 Cb 0.62 0.00 0.11 0.00 -0.72 0.00 0.00 41.12 41.13 3krg n ASP 223 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3krg s GLY 224 N 0.00 1.74 -0.07 0.27 0.00 -1.26 -4.30 107.32 103.70 3krg s GLY 224 Ca 0.00 -1.92 -0.09 0.00 0.00 0.00 0.00 44.72 42.72 3krg s GLY 224 CO 0.00 -1.32 -0.17 -1.06 0.00 0.00 0.00 173.10 170.56 3krg n GLN 225 N -2.80 0.25 -3.79 2.90 6.02 0.69 -2.92 117.38 117.74 3krg n GLN 225 Ca 0.17 0.10 -0.30 0.00 -0.01 0.00 0.00 57.00 56.96 3krg n GLN 225 Cb 0.61 -0.90 -0.15 0.00 1.02 0.00 0.00 30.24 30.82 3krg n GLN 225 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3krg s THR 226 N -2.04 1.20 0.21 5.09 -4.23 -0.71 -0.95 115.64 114.21 3krg s THR 226 Ca -0.14 -1.65 0.06 0.00 -1.18 0.00 0.00 61.69 58.79 3krg s THR 226 Cb 0.02 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.92 3krg s THR 226 CO 0.20 -0.67 0.16 -1.81 -0.54 0.00 0.00 174.62 171.96 3krg s ASP 227 N 1.41 5.49 -0.05 3.99 1.01 -0.78 -4.15 116.67 123.60 3krg s ASP 227 Ca 0.10 -0.20 -0.02 0.00 0.71 0.00 0.00 52.55 53.14 3krg s ASP 227 Cb -0.18 -1.41 0.03 0.00 1.01 0.00 0.00 42.92 42.38 3krg s ASP 227 CO -0.21 0.02 0.11 0.00 0.21 0.00 0.00 175.17 175.30 3krg s ALA 228 N -1.94 -0.17 0.10 5.23 0.00 -0.11 -0.65 121.76 124.21 3krg s ALA 228 Ca 0.32 0.50 -0.06 0.00 0.00 0.00 0.00 51.96 52.72 3krg s ALA 228 Cb -0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3krg s ALA 228 CO 0.24 -0.12 0.13 0.45 0.00 0.00 0.00 175.76 176.46 3krg s SER 229 N 0.92 0.22 -1.24 0.00 0.15 -0.08 -0.28 113.70 113.39 3krg s SER 229 Ca -0.07 -0.85 -0.02 0.00 0.70 0.00 0.00 55.95 55.71 3krg s SER 229 Cb -0.10 0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 64.52 3krg s SER 229 CO -0.04 -0.73 0.80 0.59 1.20 0.00 0.00 173.24 175.07 3krg n ASN 230 N -0.05 -2.15 -0.04 5.45 3.02 -1.26 -0.94 115.26 119.28 3krg n ASN 230 Ca -0.12 -0.77 -0.01 0.00 -0.03 0.00 0.00 54.58 53.65 3krg n ASN 230 Cb 0.62 -4.40 -0.00 0.00 -0.61 0.00 0.00 39.78 35.39 3krg n ASN 230 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krg n GLY 231 N -1.43 0.47 3.53 7.41 0.00 -1.26 -3.27 105.19 110.64 3krg n GLY 231 Ca -0.26 -0.23 -0.45 0.00 0.00 0.00 0.00 46.02 45.07 3krg n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krg n ALA 232 N 1.01 -1.02 -3.58 4.61 0.00 -0.67 -4.61 120.51 116.25 3krg n ALA 232 Ca -0.01 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 3krg n ALA 232 Cb 0.06 -1.90 -0.06 0.00 0.00 0.00 0.00 19.45 17.55 3krg n ALA 232 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3krg s ASN 233 N -0.70 -0.67 -0.35 0.00 2.47 -0.75 -0.53 114.94 114.42 3krg s ASN 233 Ca 0.60 1.03 -0.04 0.00 0.42 0.00 0.00 52.86 54.87 3krg s ASN 233 Cb -0.76 0.95 0.00 0.00 -1.45 0.00 0.00 41.25 39.99 3krg s ASN 233 CO 0.59 -0.41 0.37 -1.22 -3.72 0.00 0.00 177.10 172.71 3krg n TYR 234 N 1.75 -1.81 -3.87 0.43 4.01 -0.38 -2.24 117.16 115.06 3krg n TYR 234 Ca -0.16 0.71 -0.13 0.00 -0.16 0.00 0.00 57.90 58.15 3krg n TYR 234 Cb 0.56 -2.98 -0.15 0.00 -0.31 0.00 0.00 39.34 36.47 3krg n TYR 234 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3krg s ILE 235 N -2.56 0.03 -0.12 -0.72 1.01 -0.88 -1.10 121.20 116.85 3krg s ILE 235 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3krg s ILE 235 Cb -0.02 -0.07 0.00 0.00 0.01 0.00 0.00 42.46 42.38 3krg s ILE 235 CO 0.43 0.04 -0.22 -0.89 0.00 0.00 0.00 174.94 174.30 3krg s THR 236 N 0.34 2.17 -0.20 2.92 2.01 -0.17 -0.64 115.64 122.07 3krg s THR 236 Ca -0.03 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3krg s THR 236 Cb -0.04 -1.85 0.03 0.00 0.01 0.00 0.00 72.50 70.64 3krg s THR 236 CO -0.01 0.55 -0.17 -0.04 -0.69 0.00 0.00 174.62 174.27 3krg s MET 237 N 0.57 2.69 0.04 4.92 -1.94 0.01 -1.18 119.30 124.40 3krg s MET 237 Ca -0.13 -0.98 0.04 0.00 -1.71 0.00 0.00 55.69 52.91 3krg s MET 237 Cb -0.17 -2.64 -0.02 0.00 2.01 0.00 0.00 34.83 34.01 3krg s MET 237 CO 0.04 -0.33 -0.11 -1.54 -0.01 0.00 0.00 175.02 173.06 3krg s SER 238 N 1.24 1.30 -1.43 3.03 1.04 -0.22 -1.89 113.70 116.78 3krg s SER 238 Ca 0.00 -0.44 -0.09 0.00 0.48 0.00 0.00 55.95 55.91 3krg s SER 238 Cb -0.15 -0.06 0.05 0.00 0.10 0.00 0.00 66.02 65.96 3krg s SER 238 CO -0.10 -0.03 0.66 -1.22 0.98 0.00 0.00 173.24 173.53 3krg n TYR 239 N 1.89 -2.01 -3.88 5.02 4.01 -0.78 -1.88 117.16 119.53 3krg n TYR 239 Ca -0.19 0.60 -0.27 0.00 -0.16 0.00 0.00 57.90 57.88 3krg n TYR 239 Cb 0.55 -3.78 -0.03 0.00 -0.31 0.00 0.00 39.34 35.77 3krg n TYR 239 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3krg s ASN 240 N -2.85 6.36 -0.34 7.72 0.01 -1.26 -0.54 114.94 124.03 3krg s ASN 240 Ca 0.43 0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.84 3krg s ASN 240 Cb -0.21 -1.94 0.09 0.00 0.41 0.00 0.00 41.25 39.59 3krg s ASN 240 CO 0.53 0.05 0.06 -0.47 -1.51 0.00 0.00 177.10 175.77 3krg s TYR 241 N -1.73 3.58 -0.21 2.20 5.04 -0.02 -0.86 117.35 125.36 3krg s TYR 241 Ca 0.36 -2.60 -0.13 0.00 -2.44 0.00 0.00 57.07 52.26 3krg s TYR 241 Cb -0.11 -2.77 -0.05 0.00 0.35 0.00 0.00 41.96 39.39 3krg s TYR 241 CO 0.28 -0.93 0.25 0.71 -1.34 0.00 0.00 175.55 174.53 3krg s TYR 242 N 1.04 3.36 -0.07 4.97 1.51 0.98 -0.68 117.35 128.47 3krg s TYR 242 Ca 0.05 0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 56.37 3krg s TYR 242 Cb -0.20 -2.35 0.03 0.00 -0.11 0.00 0.00 41.96 39.33 3krg s TYR 242 CO -0.06 0.09 0.38 -3.38 -1.11 0.00 0.00 175.55 171.48 3krg s HIS 243 N 0.98 -0.33 -0.84 2.71 -3.43 -0.33 -1.08 115.29 112.97 3krg s HIS 243 Ca 0.13 0.66 -0.03 0.00 -0.80 0.00 0.00 55.06 55.01 3krg s HIS 243 Cb -0.14 0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 3krg s HIS 243 CO 0.05 -0.35 0.73 -0.25 -2.00 0.00 0.00 174.74 172.92 3krg n ASP 244 N 1.83 -6.95 -3.55 7.38 8.00 -0.57 -4.15 116.55 118.53 3krg n ASP 244 Ca -0.18 -0.40 -0.13 0.00 0.71 0.00 0.00 54.79 54.80 3krg n ASP 244 Cb 0.57 -4.59 -0.05 0.00 -0.02 0.00 0.00 41.12 37.03 3krg n ASP 244 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3krg s HIS 245 N -3.11 -0.46 0.00 1.24 2.46 -1.01 -3.35 115.29 111.06 3krg s HIS 245 Ca 0.12 0.74 0.00 0.00 0.47 0.00 0.00 55.06 56.39 3krg s HIS 245 Cb -0.03 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.87 3krg s HIS 245 CO 0.78 -0.44 0.09 -3.47 -2.47 0.00 0.00 174.74 169.23 3krg n ASP 246 N 0.69 0.00 -4.37 9.88 -0.08 -1.26 -2.37 116.55 119.04 3krg n ASP 246 Ca -0.13 0.50 -0.39 0.00 -1.51 0.00 0.00 54.79 53.26 3krg n ASP 246 Cb 0.58 -0.45 -0.12 0.00 2.34 0.00 0.00 41.12 43.48 3krg n ASP 246 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3krg s ALA 247 N -3.08 3.22 -0.12 -1.67 0.00 -1.26 -1.81 121.76 117.03 3krg s ALA 247 Ca 0.00 -1.62 -0.08 0.00 0.00 0.00 0.00 51.96 50.26 3krg s ALA 247 Cb 0.00 -2.45 -0.07 0.00 0.00 0.00 0.00 23.12 20.61 3krg s ALA 247 CO 0.00 -1.21 0.15 1.03 0.00 0.00 0.00 175.76 175.72 3krg h SER 248 N 8.36 0.00 -2.39 0.00 0.87 -1.23 -3.23 113.55 115.93 3krg h SER 248 Ca -0.27 -0.23 -0.20 0.00 -1.23 0.00 0.00 61.79 59.85 3krg h SER 248 Cb 1.11 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.76 3krg h SER 248 CO 0.64 0.68 -0.52 -0.44 -0.53 0.00 0.00 176.83 176.67 3krg s SER 249 N -5.77 0.51 -0.22 6.23 0.01 0.99 -0.22 113.70 115.23 3krg s SER 249 Ca -0.07 0.30 -0.05 0.00 1.31 0.00 0.00 55.95 57.44 3krg s SER 249 Cb -0.00 0.84 -0.02 0.00 0.21 0.00 0.00 66.02 67.06 3krg s SER 249 CO 0.20 -0.28 -0.01 -0.63 0.41 0.00 0.00 173.24 172.92 3krg s ILE 250 N 2.46 3.68 -0.38 1.44 1.01 -1.26 -0.70 121.20 127.45 3krg s ILE 250 Ca 0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3krg s ILE 250 Cb -0.14 -2.68 0.08 0.00 0.01 0.00 0.00 42.46 39.73 3krg s ILE 250 CO -0.13 0.41 0.16 -0.36 0.00 0.00 0.00 174.94 175.03 3krg s PHE 251 N 1.33 3.40 0.00 3.97 0.08 -0.05 -0.94 117.98 125.78 3krg s PHE 251 Ca 0.04 -1.91 0.00 0.00 0.12 0.00 0.00 56.93 55.18 3krg s PHE 251 Cb -0.14 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.53 3krg s PHE 251 CO -0.00 -0.87 0.00 0.41 -0.10 0.00 0.00 175.22 174.66 3krg n GLY 252 N 4.72 0.38 0.13 4.36 0.00 0.61 -1.33 105.19 114.07 3krg n GLY 252 Ca -0.08 -0.94 0.12 0.00 0.00 0.00 0.00 46.02 45.11 3krg n GLY 252 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3krg n SER 253 N 0.00 0.96 -3.64 1.61 3.41 -1.26 -4.41 113.62 110.29 3krg n SER 253 Ca 0.00 -0.76 -0.10 0.00 -0.26 0.00 0.00 58.87 57.75 3krg n SER 253 Cb 0.00 0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 64.30 3krg n SER 253 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3krg s SER 254 N -2.80 -0.77 0.58 4.04 0.15 -1.26 -5.02 113.70 108.61 3krg s SER 254 Ca 0.15 1.37 0.27 0.00 0.70 0.00 0.00 55.95 58.44 3krg s SER 254 Cb 0.18 1.36 1.65 0.00 -1.71 0.00 0.00 66.02 67.50 3krg s SER 254 CO 0.67 -0.23 2.15 0.44 1.20 0.00 0.00 173.24 177.48 3krg h ASP 255 N 5.73 0.00 1.05 5.45 3.32 -1.98 -1.76 116.42 128.23 3krg h ASP 255 Ca -0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.76 3krg h ASP 255 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3krg h ASP 255 CO 0.11 0.00 -0.40 -1.20 -1.72 0.00 0.00 179.24 176.03 3krg n SER 256 N -3.95 0.71 -3.64 6.45 7.64 -1.26 -4.42 113.62 115.16 3krg n SER 256 Ca -0.00 0.27 -0.41 0.00 1.01 0.00 0.00 58.87 59.73 3krg n SER 256 Cb 0.23 -0.17 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 3krg n SER 256 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3krg n LYS 257 N -2.12 3.51 0.10 1.43 5.02 -0.66 -4.69 118.16 120.75 3krg n LYS 257 Ca 0.04 -2.89 0.11 0.00 -2.02 0.00 0.00 58.31 53.55 3krg n LYS 257 Cb 0.43 -2.99 0.46 0.00 -0.02 0.00 0.00 35.03 32.91 3krg n LYS 257 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3krg n THR 258 N 3.78 0.82 0.30 -0.18 -2.24 -1.26 -1.00 114.28 114.50 3krg n THR 258 Ca 0.56 0.18 0.18 0.00 -2.27 0.00 0.00 64.05 62.70 3krg n THR 258 Cb 0.33 -1.07 0.90 0.00 -2.10 0.00 0.00 70.33 68.39 3krg n THR 258 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3krg h SER 259 N 0.00 0.00 0.67 3.42 4.64 -1.97 -1.36 113.55 118.95 3krg h SER 259 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3krg h SER 259 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3krg h SER 259 CO 0.00 0.00 0.00 0.44 -0.87 0.00 0.00 176.83 176.40 3krg h ASP 260 N 0.00 0.00 -2.99 4.97 3.32 -1.47 -3.44 116.42 116.81 3krg h ASP 260 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3krg h ASP 260 Cb 0.18 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.82 3krg h ASP 260 CO 0.00 0.00 0.68 -0.67 -1.72 0.00 0.00 179.24 177.53 3krg n ASP 261 N -2.94 3.11 0.00 6.45 -0.08 -0.52 -0.91 116.55 121.67 3krg n ASP 261 Ca -0.00 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 3krg n ASP 261 Cb 0.22 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.19 3krg n ASP 261 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3krg n GLY 262 N 1.88 0.89 0.00 0.27 0.00 -1.26 -5.00 105.19 101.97 3krg n GLY 262 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3krg n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krg n LYS 263 N -2.00 3.78 -3.42 1.61 5.02 -0.09 -4.83 118.16 118.24 3krg n LYS 263 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.04 3krg n LYS 263 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.05 3krg n LYS 263 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3krg n LEU 264 N 0.00 -2.75 -4.55 -0.35 4.77 0.31 -4.07 117.00 110.35 3krg n LEU 264 Ca 0.00 -0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 55.08 3krg n LEU 264 Cb 0.00 -2.82 -0.03 0.00 -2.33 0.00 0.00 43.42 38.24 3krg n LEU 264 CO 0.00 0.40 0.98 -0.54 -1.33 0.00 0.00 177.39 176.90 3krg s LYS 265 N -6.12 3.39 -0.01 3.23 1.02 -1.26 -3.77 119.74 116.23 3krg s LYS 265 Ca 0.48 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.44 3krg s LYS 265 Cb -0.22 -4.06 0.00 0.00 -0.52 0.00 0.00 37.83 33.03 3krg s LYS 265 CO 0.59 -1.70 -0.04 0.42 -0.92 0.00 0.00 175.35 173.70 3krg s ILE 266 N 4.72 0.33 -0.15 2.17 1.01 -1.14 -1.25 121.20 126.90 3krg s ILE 266 Ca 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 3krg s ILE 266 Cb -0.10 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 3krg s ILE 266 CO 0.21 0.11 -0.10 -0.89 0.00 0.00 0.00 174.94 174.27 3krg s THR 267 N 0.10 3.24 -0.22 2.92 2.01 0.19 -1.01 115.64 122.88 3krg s THR 267 Ca -0.01 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.39 3krg s THR 267 Cb -0.04 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.08 3krg s THR 267 CO -0.00 0.50 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.59 3krg s LEU 268 N 0.57 2.77 -0.04 4.42 1.43 0.16 -0.81 118.68 127.17 3krg s LEU 268 Ca -0.06 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 3krg s LEU 268 Cb -0.15 -1.66 0.01 0.00 0.03 0.00 0.00 46.19 44.42 3krg s LEU 268 CO 0.03 -0.04 0.18 -1.38 0.23 0.00 0.00 176.35 175.37 3krg s HIS 269 N 1.41 -0.12 -1.91 0.29 -3.43 -0.79 -1.18 115.29 109.55 3krg s HIS 269 Ca 0.05 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.58 3krg s HIS 269 Cb -0.14 0.03 0.00 0.00 -1.43 0.00 0.00 32.58 31.04 3krg s HIS 269 CO -0.06 -0.18 0.00 0.72 -2.00 0.00 0.00 174.74 173.23 3krg n HIS 270 N 2.39 -0.68 -3.36 0.38 8.25 -0.65 -1.87 115.22 119.68 3krg n HIS 270 Ca -0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.98 3krg n HIS 270 Cb 0.57 -3.82 -0.05 0.00 1.12 0.00 0.00 29.99 27.82 3krg n HIS 270 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3krg s ASN 271 N -2.28 6.62 -0.14 0.41 0.01 -1.26 -2.72 114.94 115.57 3krg s ASN 271 Ca 0.00 0.95 -0.02 0.00 -0.71 0.00 0.00 52.86 53.08 3krg s ASN 271 Cb 0.00 -2.24 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 3krg s ASN 271 CO 0.00 -0.11 -0.09 -0.60 -1.51 0.00 0.00 177.10 174.78 3krg s ARG 272 N -2.94 3.48 -0.29 -0.60 3.52 -0.04 -1.11 118.95 120.97 3krg s ARG 272 Ca 0.48 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 55.48 3krg s ARG 272 Cb -0.11 -2.75 0.08 0.00 -1.56 0.00 0.00 34.95 30.61 3krg s ARG 272 CO 0.22 0.19 -0.04 0.71 -0.81 0.00 0.00 175.30 175.57 3krg s TYR 273 N 0.43 3.42 -0.13 5.12 1.51 -0.21 -0.01 117.35 127.47 3krg s TYR 273 Ca -0.08 -2.57 0.00 0.00 -1.01 0.00 0.00 57.07 53.42 3krg s TYR 273 Cb -0.15 -2.30 -0.01 0.00 -0.11 0.00 0.00 41.96 39.39 3krg s TYR 273 CO 0.04 -0.90 -0.14 0.21 -1.11 0.00 0.00 175.55 173.65 3krg s LYS 274 N 1.04 3.33 -1.36 -0.62 2.20 -0.24 -0.82 119.74 123.27 3krg s LYS 274 Ca -0.01 -0.71 -0.03 0.00 -0.36 0.00 0.00 55.97 54.86 3krg s LYS 274 Cb -0.20 -2.62 0.02 0.00 -1.51 0.00 0.00 37.83 33.52 3krg s LYS 274 CO -0.06 0.16 0.76 0.09 -0.36 0.00 0.00 175.35 175.94 3krg n ASN 275 N 3.66 -1.97 -4.59 1.43 3.02 -0.50 -1.52 115.26 114.78 3krg n ASN 275 Ca -0.18 -0.81 -0.34 0.00 -0.03 0.00 0.00 54.58 53.22 3krg n ASN 275 Cb 0.52 -4.03 -0.11 0.00 -0.61 0.00 0.00 39.78 35.56 3krg n ASN 275 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3krg s ILE 276 N -3.59 4.37 -0.06 2.41 -1.09 -1.26 -2.40 121.20 119.58 3krg s ILE 276 Ca 0.15 -0.19 -0.27 0.00 -2.23 0.00 0.00 60.65 58.11 3krg s ILE 276 Cb -0.07 -2.93 -0.22 0.00 -1.58 0.00 0.00 42.46 37.65 3krg s ILE 276 CO 0.82 0.50 1.08 0.58 -1.23 0.00 0.00 174.94 176.69 3krg h VAL 277 N 4.85 1.54 -3.08 2.92 2.07 -1.04 -3.40 116.25 120.12 3krg h VAL 277 Ca -0.37 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 65.56 3krg h VAL 277 Cb 1.18 2.63 -0.04 0.00 -1.52 0.00 0.00 31.29 33.53 3krg h VAL 277 CO 0.65 0.43 0.20 0.00 0.02 0.00 0.00 177.57 178.87 3krg s GLN 278 N -3.47 1.87 -0.65 1.57 -2.07 -0.75 -0.19 119.66 115.97 3krg s GLN 278 Ca -0.17 -1.13 -0.02 0.00 -1.82 0.00 0.00 55.36 52.22 3krg s GLN 278 Cb 0.00 0.60 0.00 0.00 -1.09 0.00 0.00 33.01 32.52 3krg s GLN 278 CO 0.69 -0.86 0.64 0.54 -1.32 0.00 0.00 175.29 174.98 3krg n ARG 279 N -0.47 -1.37 -2.93 9.60 1.74 -1.26 -1.84 116.66 120.14 3krg n ARG 279 Ca -0.05 1.51 -0.14 0.00 -0.77 0.00 0.00 57.85 58.41 3krg n ARG 279 Cb 0.59 -5.45 -0.00 0.00 -1.02 0.00 0.00 32.46 26.58 3krg n ARG 279 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3krg n ALA 280 N -1.51 2.72 -2.33 7.54 0.00 0.54 -0.01 120.51 127.46 3krg n ALA 280 Ca 0.02 -3.29 -0.21 0.00 0.00 0.00 0.00 53.44 49.96 3krg n ALA 280 Cb 0.49 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3krg n ALA 280 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3krg s PRO 281 N -2.78 2.54 -0.23 0.00 0.04 -1.25 -4.50 135.00 128.82 3krg s PRO 281 Ca 0.34 -1.50 -0.12 0.00 0.04 0.00 0.00 61.00 59.76 3krg s PRO 281 Cb 0.40 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.55 3krg s PRO 281 CO -0.02 -0.09 0.22 0.50 0.04 0.00 0.00 177.00 177.65 3krg s ARG 282 N -4.05 4.08 -0.03 4.56 3.52 0.12 -0.72 118.95 126.43 3krg s ARG 282 Ca 0.45 -0.15 0.07 0.00 -0.13 0.00 0.00 55.73 55.96 3krg s ARG 282 Cb -0.03 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3krg s ARG 282 CO 0.27 0.01 -0.24 0.08 -0.81 0.00 0.00 175.30 174.61 3krg s VAL 283 N 1.20 1.91 -0.05 7.11 1.01 -0.48 -0.87 120.40 130.24 3krg s VAL 283 Ca 0.10 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.12 3krg s VAL 283 Cb -0.14 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3krg s VAL 283 CO 0.06 0.54 -0.19 -0.13 0.00 0.00 0.00 175.10 175.38 3krg s ARG 284 N -0.38 2.49 0.00 2.72 0.52 -0.44 -0.56 118.95 123.29 3krg s ARG 284 Ca 0.04 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 3krg s ARG 284 Cb -0.11 -2.28 0.00 0.00 0.52 0.00 0.00 34.95 33.08 3krg s ARG 284 CO 0.01 0.53 0.00 1.19 0.02 0.00 0.00 175.30 177.05 3krg n PHE 285 N 2.56 0.00 -2.36 -0.53 3.72 0.17 -4.57 117.46 116.45 3krg n PHE 285 Ca -0.17 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 56.91 3krg n PHE 285 Cb 0.52 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.03 3krg n PHE 285 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3krg s GLY 286 N 0.00 2.04 -0.74 1.37 0.00 -1.26 -4.31 107.32 104.42 3krg s GLY 286 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 44.72 44.65 3krg s GLY 286 CO 0.00 0.44 1.13 1.20 0.00 0.00 0.00 173.10 175.88 3krg s GLN 287 N -4.14 3.22 -0.23 2.90 -0.21 -1.25 -0.75 119.66 119.21 3krg s GLN 287 Ca 0.59 -0.73 -0.01 0.00 0.02 0.00 0.00 55.36 55.23 3krg s GLN 287 Cb -0.10 -4.37 0.02 0.00 1.00 0.00 0.00 33.01 29.56 3krg s GLN 287 CO 0.33 -1.97 -0.09 0.08 -2.12 0.00 0.00 175.29 171.52 3krg s VAL 288 N 4.63 2.78 -0.24 1.09 1.01 -1.08 -2.86 120.40 125.73 3krg s VAL 288 Ca 0.30 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 3krg s VAL 288 Cb -0.11 -2.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 3krg s VAL 288 CO 0.08 0.31 0.69 -2.28 0.00 0.00 0.00 175.10 173.91 3krg s HIS 289 N 1.34 3.31 -0.28 5.22 2.46 -0.18 -0.72 115.29 126.44 3krg s HIS 289 Ca 0.02 0.93 0.03 0.00 0.47 0.00 0.00 55.06 56.51 3krg s HIS 289 Cb -0.15 -2.90 0.07 0.00 -0.13 0.00 0.00 32.58 29.47 3krg s HIS 289 CO -0.06 -0.32 -0.07 0.08 -2.47 0.00 0.00 174.74 171.91 3krg s VAL 290 N 2.49 2.27 -0.03 0.89 1.01 -0.19 0.36 120.40 127.20 3krg s VAL 290 Ca 0.29 -1.77 -0.05 0.00 0.00 0.00 0.00 61.98 60.45 3krg s VAL 290 Cb -0.16 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3krg s VAL 290 CO 0.09 -0.16 0.12 -0.72 0.00 0.00 0.00 175.10 174.43 3krg s TYR 291 N 1.07 -0.05 -1.56 5.22 -0.85 -0.33 -1.08 117.35 119.77 3krg s TYR 291 Ca -0.04 0.12 -0.04 0.00 -0.52 0.00 0.00 57.07 56.58 3krg s TYR 291 Cb -0.20 -0.00 0.01 0.00 0.38 0.00 0.00 41.96 42.15 3krg s TYR 291 CO -0.05 -0.15 0.47 0.09 -1.52 0.00 0.00 175.55 174.39 3krg n ASN 292 N 2.36 -5.82 -4.94 -0.18 5.03 -0.76 -2.89 115.26 108.08 3krg n ASN 292 Ca -0.17 -0.23 -0.25 0.00 0.87 0.00 0.00 54.58 54.79 3krg n ASN 292 Cb 0.58 -4.74 -0.02 0.00 -1.02 0.00 0.00 39.78 34.58 3krg n ASN 292 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3krg s ASN 293 N -2.57 6.35 -0.08 6.41 0.01 -1.26 -1.63 114.94 122.17 3krg s ASN 293 Ca 0.25 0.38 0.04 0.00 -0.71 0.00 0.00 52.86 52.82 3krg s ASN 293 Cb -0.11 -2.00 -0.00 0.00 0.41 0.00 0.00 41.25 39.55 3krg s ASN 293 CO 0.31 -0.13 -0.22 -0.47 -1.51 0.00 0.00 177.10 175.08 3krg s TYR 294 N -2.03 2.25 -0.06 2.20 5.04 -0.26 -1.65 117.35 122.84 3krg s TYR 294 Ca 0.38 -0.83 0.05 0.00 -2.44 0.00 0.00 57.07 54.23 3krg s TYR 294 Cb -0.10 -1.52 -0.00 0.00 0.35 0.00 0.00 41.96 40.69 3krg s TYR 294 CO 0.31 -0.32 -0.20 0.71 -1.34 0.00 0.00 175.55 174.71 3krg s TYR 295 N 0.24 2.03 -0.08 4.97 1.51 0.01 -1.04 117.35 124.99 3krg s TYR 295 Ca -0.13 -0.63 -0.06 0.00 -1.01 0.00 0.00 57.07 55.24 3krg s TYR 295 Cb -0.16 -1.36 0.03 0.00 -0.11 0.00 0.00 41.96 40.36 3krg s TYR 295 CO 0.06 -0.22 0.21 -1.83 -1.11 0.00 0.00 175.55 172.66 3krg s GLU 296 N 0.04 0.21 -0.00 -0.62 -1.05 0.00 -0.55 118.70 116.73 3krg s GLU 296 Ca -0.06 0.36 -0.04 0.00 -0.15 0.00 0.00 54.97 55.08 3krg s GLU 296 Cb -0.13 0.02 0.01 0.00 -0.44 0.00 0.00 34.13 33.59 3krg s GLU 296 CO 0.03 -0.08 0.16 0.41 0.95 0.00 0.00 175.26 176.74 3krg n GLY 297 N 3.45 0.58 2.92 -3.83 0.00 -0.87 -1.41 105.19 106.03 3krg n GLY 297 Ca -0.18 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 3krg n GLY 297 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3krg s SER 298 N -1.36 -0.08 0.25 1.61 0.15 -1.26 -4.24 113.70 108.77 3krg s SER 298 Ca 0.04 0.20 0.24 0.00 0.70 0.00 0.00 55.95 57.13 3krg s SER 298 Cb -0.00 0.15 0.94 0.00 -1.71 0.00 0.00 66.02 65.40 3krg s SER 298 CO -0.00 -0.09 1.73 0.35 1.20 0.00 0.00 173.24 176.43 3krg n THR 299 N 3.61 0.76 0.05 6.45 -2.24 -1.26 -1.42 114.28 120.24 3krg n THR 299 Ca -0.20 0.09 0.07 0.00 -2.27 0.00 0.00 64.05 61.74 3krg n THR 299 Cb 0.55 -1.00 0.14 0.00 -2.10 0.00 0.00 70.33 67.92 3krg n THR 299 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3krg n SER 300 N -2.25 2.79 -4.76 3.42 3.41 -1.26 -4.64 113.62 110.32 3krg n SER 300 Ca 0.03 -1.85 -0.40 0.00 -0.26 0.00 0.00 58.87 56.39 3krg n SER 300 Cb 0.29 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.07 3krg n SER 300 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3krg s SER 301 N -1.05 5.75 0.12 4.04 0.15 -1.21 -4.93 113.70 116.58 3krg s SER 301 Ca 0.24 2.93 0.00 0.00 0.70 0.00 0.00 55.95 59.82 3krg s SER 301 Cb 0.14 -2.65 -0.16 0.00 -1.71 0.00 0.00 66.02 61.64 3krg s SER 301 CO 0.18 -1.26 1.26 0.77 1.20 0.00 0.00 173.24 175.40 3krg h SER 302 N 2.18 0.29 0.00 5.45 4.64 -1.94 -3.37 113.55 120.80 3krg h SER 302 Ca -0.51 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 60.53 3krg h SER 302 Cb 1.27 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3krg h SER 302 CO 0.60 1.15 -0.05 0.28 -0.87 0.00 0.00 176.83 177.95 3krg h SER 303 N 0.08 0.00 -2.15 4.97 0.02 -1.99 -3.44 113.55 111.05 3krg h SER 303 Ca -0.07 -0.15 -0.57 0.00 -0.84 0.00 0.00 61.79 60.15 3krg h SER 303 Cb 1.74 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.89 3krg h SER 303 CO 0.16 0.60 -1.05 -1.22 -1.14 0.00 0.00 176.83 174.18 3krg n TYR 304 N -4.74 -0.56 -2.53 3.45 4.01 -1.26 -4.73 117.16 110.81 3krg n TYR 304 Ca -0.02 -3.46 -0.41 0.00 -0.16 0.00 0.00 57.90 53.84 3krg n TYR 304 Cb 0.10 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 3krg n TYR 304 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3krg s PRO 305 N -0.70 4.63 0.21 -0.72 0.04 -1.26 -4.47 135.00 132.73 3krg s PRO 305 Ca 0.34 1.72 -0.32 0.00 0.04 0.00 0.00 61.00 62.78 3krg s PRO 305 Cb 0.12 -3.25 -0.12 0.00 0.04 0.00 0.00 34.50 31.28 3krg s PRO 305 CO -0.15 0.15 1.72 0.34 0.04 0.00 0.00 177.00 179.11 3krg n PHE 306 N 1.97 2.75 -0.03 0.56 -0.00 -0.50 -4.47 117.46 117.73 3krg n PHE 306 Ca 0.01 0.04 -0.07 0.00 -0.00 0.00 0.00 57.45 57.43 3krg n PHE 306 Cb 0.46 -2.67 -0.02 0.00 -0.00 0.00 0.00 39.48 37.24 3krg n PHE 306 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3krg n SER 307 N 3.98 1.24 -3.51 -2.13 2.88 0.73 -4.50 113.62 112.32 3krg n SER 307 Ca 0.16 0.19 -0.10 0.00 -1.33 0.00 0.00 58.87 57.79 3krg n SER 307 Cb 0.35 -0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 63.33 3krg n SER 307 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 3krg s TYR 308 N -2.33 -0.43 0.00 0.66 -0.85 -1.02 -4.87 117.35 108.51 3krg s TYR 308 Ca -0.14 0.20 0.00 0.00 -0.52 0.00 0.00 57.07 56.61 3krg s TYR 308 Cb 0.03 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3krg s TYR 308 CO 0.19 -0.82 0.00 0.00 -1.52 0.00 0.00 175.55 173.40 3krg n ALA 309 N -0.36 0.00 -2.74 9.51 0.00 -0.13 -4.03 120.51 122.76 3krg n ALA 309 Ca -0.13 -0.17 -0.36 0.00 0.00 0.00 0.00 53.44 52.78 3krg n ALA 309 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 3krg n ALA 309 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3krg s TRP 310 N -0.83 3.50 -0.34 0.00 0.51 -1.20 -0.34 118.94 120.24 3krg s TRP 310 Ca 0.00 0.54 -0.14 0.00 -2.12 0.00 0.00 56.10 54.38 3krg s TRP 310 Cb 0.00 -2.20 -0.01 0.00 -0.81 0.00 0.00 33.47 30.44 3krg s TRP 310 CO 0.00 0.39 0.29 0.20 -0.51 0.00 0.00 176.95 177.33 3krg s GLY 311 N -0.01 1.94 -0.91 0.98 0.00 0.10 -1.26 107.32 108.17 3krg s GLY 311 Ca 0.14 -1.31 -0.17 0.00 0.00 0.00 0.00 44.72 43.38 3krg s GLY 311 CO 0.03 0.87 1.03 -0.42 0.00 0.00 0.00 173.10 174.61 3krg s ILE 312 N 1.85 5.02 0.27 0.90 -1.09 0.11 -1.38 121.20 126.88 3krg s ILE 312 Ca 0.09 -1.90 0.00 0.00 -2.23 0.00 0.00 60.65 56.61 3krg s ILE 312 Cb -0.17 -4.69 0.05 0.00 -1.58 0.00 0.00 42.46 36.07 3krg s ILE 312 CO 0.11 -1.37 0.38 0.61 -1.23 0.00 0.00 174.94 173.44 3krg n GLY 313 N 4.97 0.85 3.65 6.18 0.00 0.27 -1.26 105.19 119.85 3krg n GLY 313 Ca 0.21 -2.00 -0.52 0.00 0.00 0.00 0.00 46.02 43.71 3krg n GLY 313 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3krg n LYS 314 N -1.69 1.64 -1.54 1.61 4.81 -1.22 -1.60 118.16 120.18 3krg n LYS 314 Ca 0.06 0.58 -0.18 0.00 -0.87 0.00 0.00 58.31 57.90 3krg n LYS 314 Cb 0.23 -2.45 -0.08 0.00 0.02 0.00 0.00 35.03 32.75 3krg n LYS 314 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3krg n SER 315 N 6.97 -5.21 -4.75 3.14 2.88 -0.27 -0.66 113.62 115.72 3krg n SER 315 Ca 0.27 0.45 -0.35 0.00 -1.33 0.00 0.00 58.87 57.92 3krg n SER 315 Cb 0.23 -4.32 0.04 0.00 -0.75 0.00 0.00 64.21 59.42 3krg n SER 315 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3krg s SER 316 N -2.81 5.06 -0.42 -3.46 1.04 -0.63 -3.32 113.70 109.17 3krg s SER 316 Ca 0.00 2.25 0.10 0.00 0.48 0.00 0.00 55.95 58.78 3krg s SER 316 Cb 0.00 -2.58 0.40 0.00 0.10 0.00 0.00 66.02 63.94 3krg s SER 316 CO 0.00 -1.67 0.95 0.29 0.98 0.00 0.00 173.24 173.79 3krg n LYS 317 N -1.97 2.27 -2.07 4.02 4.76 0.07 -4.66 118.16 120.58 3krg n LYS 317 Ca 0.12 -4.02 -0.42 0.00 -2.87 0.00 0.00 58.31 51.12 3krg n LYS 317 Cb 0.51 -1.87 -0.03 0.00 -1.84 0.00 0.00 35.03 31.80 3krg n LYS 317 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3krg s ILE 318 N -4.02 2.99 -0.36 -0.18 1.01 -1.26 -2.64 121.20 116.74 3krg s ILE 318 Ca 0.41 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.80 3krg s ILE 318 Cb 0.38 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 39.48 3krg s ILE 318 CO -0.09 0.07 0.09 -0.47 0.00 0.00 0.00 174.94 174.54 3krg s TYR 319 N 0.93 3.65 -0.21 3.97 6.14 0.10 -2.14 117.35 129.79 3krg s TYR 319 Ca 0.65 -2.68 -0.09 0.00 0.64 0.00 0.00 57.07 55.59 3krg s TYR 319 Cb -0.40 -2.93 -0.05 0.00 0.42 0.00 0.00 41.96 39.00 3krg s TYR 319 CO 0.32 -0.95 0.12 0.00 0.64 0.00 0.00 175.55 175.69 3krg s ALA 320 N 1.02 3.58 -0.05 3.97 0.00 0.33 -1.02 121.76 129.59 3krg s ALA 320 Ca 0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.25 3krg s ALA 320 Cb -0.20 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.79 3krg s ALA 320 CO -0.06 0.04 0.04 -1.14 0.00 0.00 0.00 175.76 174.64 3krg s GLN 321 N 0.60 0.13 -1.33 0.00 0.74 -0.24 -1.21 119.66 118.36 3krg s GLN 321 Ca 0.07 0.28 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 3krg s GLN 321 Cb -0.12 -0.62 -0.00 0.00 1.10 0.00 0.00 33.01 33.37 3krg s GLN 321 CO 0.01 -0.30 0.61 0.09 -0.55 0.00 0.00 175.29 175.14 3krg n ASN 322 N 5.13 -1.10 -4.95 6.67 4.13 0.21 -1.85 115.26 123.50 3krg n ASN 322 Ca -0.07 -0.89 -0.25 0.00 1.68 0.00 0.00 54.58 55.05 3krg n ASN 322 Cb 0.50 -3.70 -0.03 0.00 -1.54 0.00 0.00 39.78 35.01 3krg n ASN 322 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 3krg s ASN 323 N -4.32 6.33 -0.07 6.41 0.01 -1.26 -1.82 114.94 120.23 3krg s ASN 323 Ca 0.03 0.16 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 3krg s ASN 323 Cb -0.01 -1.90 0.02 0.00 0.41 0.00 0.00 41.25 39.77 3krg s ASN 323 CO 0.84 0.04 -0.08 -0.69 -1.51 0.00 0.00 177.10 175.70 3krg s VAL 324 N -1.77 0.85 -0.11 1.60 1.01 -0.66 -1.71 120.40 119.62 3krg s VAL 324 Ca 0.34 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.08 3krg s VAL 324 Cb -0.11 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.44 3krg s VAL 324 CO 0.29 0.31 -0.19 -0.63 0.00 0.00 0.00 175.10 174.87 3krg s ILE 325 N 1.09 1.74 -0.46 2.22 1.01 0.28 -0.81 121.20 126.26 3krg s ILE 325 Ca -0.07 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.80 3krg s ILE 325 Cb -0.14 -1.54 0.13 0.00 0.01 0.00 0.00 42.46 40.91 3krg s ILE 325 CO -0.01 0.49 0.22 -1.81 0.00 0.00 0.00 174.94 173.83 3krg s ASP 326 N 0.70 4.10 -0.25 3.58 1.01 0.29 -0.62 116.67 125.49 3krg s ASP 326 Ca -0.12 -2.72 -0.03 0.00 0.71 0.00 0.00 52.55 50.39 3krg s ASP 326 Cb -0.16 -1.38 0.09 0.00 1.01 0.00 0.00 42.92 42.47 3krg s ASP 326 CO 0.02 -0.27 0.10 -0.69 0.21 0.00 0.00 175.17 174.55 3krg s VAL 327 N 0.15 0.17 0.33 -1.27 1.01 -1.26 -2.05 120.40 117.49 3krg s VAL 327 Ca 0.16 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 3krg s VAL 327 Cb -0.24 -1.02 -0.12 0.00 0.00 0.00 0.00 36.38 34.99 3krg s VAL 327 CO -0.02 -0.55 1.34 -2.65 0.00 0.00 0.00 175.10 173.21 3krg n PRO 328 N 5.16 2.19 -0.40 2.72 -0.02 -1.26 -2.12 135.00 141.27 3krg n PRO 328 Ca -0.06 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 3krg n PRO 328 Cb 0.44 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3krg n PRO 328 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3krg n GLY 329 N 0.99 1.68 3.76 -1.23 0.00 -1.26 -4.68 105.19 104.46 3krg n GLY 329 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3krg n GLY 329 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3krg s LEU 330 N 0.00 4.45 0.57 0.99 2.96 -0.90 -5.04 118.68 121.71 3krg s LEU 330 Ca 0.00 2.22 -0.11 0.00 -0.22 0.00 0.00 54.13 56.01 3krg s LEU 330 Cb 0.00 -3.77 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 3krg s LEU 330 CO 0.00 -0.24 0.98 -0.94 -1.32 0.00 0.00 176.35 174.83 3krg s SER 331 N -1.05 6.32 0.20 3.68 1.04 -1.26 -4.98 113.70 117.66 3krg s SER 331 Ca 0.48 1.37 -0.10 0.00 0.48 0.00 0.00 55.95 58.18 3krg s SER 331 Cb -0.30 -2.44 0.24 0.00 0.10 0.00 0.00 66.02 63.62 3krg s SER 331 CO 0.38 -0.76 1.78 0.00 0.98 0.00 0.00 173.24 175.63 3krg h ALA 332 N 0.06 0.82 -0.81 5.32 0.00 -1.97 -2.38 119.26 120.30 3krg h ALA 332 Ca -0.45 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.54 3krg h ALA 332 Cb 1.19 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 3krg h ALA 332 CO 0.62 -0.05 0.53 0.00 0.00 0.00 0.00 179.25 180.35 3krg h ALA 333 N 1.36 1.53 -0.04 0.00 0.00 -1.88 -2.81 119.26 117.41 3krg h ALA 333 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3krg h ALA 333 Cb 0.24 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3krg h ALA 333 CO -0.21 0.39 0.00 1.63 0.00 0.00 0.00 179.25 181.05 3krg n LYS 334 N -4.45 1.46 0.29 0.00 4.76 -0.91 -3.10 118.16 116.21 3krg n LYS 334 Ca 0.11 -0.67 0.16 0.00 -2.87 0.00 0.00 58.31 55.04 3krg n LYS 334 Cb 0.13 -1.45 0.85 0.00 -1.84 0.00 0.00 35.03 32.71 3krg n LYS 334 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 3krg h THR 335 N 1.55 0.30 -2.50 -0.18 1.35 -1.41 -3.43 112.91 108.59 3krg h THR 335 Ca 0.00 -0.38 -0.52 0.00 -0.55 0.00 0.00 66.41 64.95 3krg h THR 335 Cb 0.33 1.29 -0.14 0.00 -1.73 0.00 0.00 68.15 67.90 3krg h THR 335 CO 0.00 0.06 -0.69 0.27 -0.25 0.00 0.00 175.52 174.91 3krg s ILE 336 N -4.08 1.86 -0.07 6.82 -4.36 -1.18 -0.95 121.20 119.23 3krg s ILE 336 Ca -0.03 -2.18 0.03 0.00 -0.26 0.00 0.00 60.65 58.21 3krg s ILE 336 Cb 0.12 -2.41 0.01 0.00 1.25 0.00 0.00 42.46 41.43 3krg s ILE 336 CO 0.53 -0.33 -0.17 -0.55 0.24 0.00 0.00 174.94 174.65 3krg s SER 337 N -3.46 2.32 -0.20 4.36 0.15 -0.39 -4.91 113.70 111.57 3krg s SER 337 Ca 0.29 -0.40 -0.07 0.00 0.70 0.00 0.00 55.95 56.47 3krg s SER 337 Cb 0.02 -1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 3krg s SER 337 CO 0.12 0.10 0.04 -0.69 1.20 0.00 0.00 173.24 174.01 3krg s VAL 338 N 0.45 4.44 0.27 4.45 1.01 -1.26 0.07 120.40 129.82 3krg s VAL 338 Ca -0.15 -0.15 0.09 0.00 0.00 0.00 0.00 61.98 61.78 3krg s VAL 338 Cb -0.16 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3krg s VAL 338 CO 0.05 0.43 0.00 -0.36 0.00 0.00 0.00 175.10 175.23 3krg s PHE 339 N 0.74 2.69 0.19 5.22 0.08 -0.39 -4.96 117.98 121.55 3krg s PHE 339 Ca 0.02 -0.23 -0.32 0.00 0.12 0.00 0.00 56.93 56.51 3krg s PHE 339 Cb -0.14 -1.22 -0.15 0.00 -0.57 0.00 0.00 43.02 40.95 3krg s PHE 339 CO 0.02 0.61 1.23 -1.13 -0.10 0.00 0.00 175.22 175.85 3krg n SER 340 N -0.91 1.72 0.00 1.36 3.41 -1.26 -1.14 113.62 116.81 3krg n SER 340 Ca -0.06 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 3krg n SER 340 Cb 0.59 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 3krg n SER 340 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3krg n GLY 341 N 2.08 1.39 3.65 5.00 0.00 -1.26 -3.46 105.19 112.59 3krg n GLY 341 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3krg n GLY 341 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3krg s GLY 342 N -1.85 2.01 0.00 -0.02 0.00 -0.29 -1.12 107.32 106.05 3krg s GLY 342 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 44.72 44.31 3krg s GLY 342 CO 0.00 1.18 0.08 -1.30 0.00 0.00 0.00 173.10 173.06 3krg n THR 343 N 4.73 0.01 -3.80 0.90 -2.24 -1.26 -4.75 114.28 107.87 3krg n THR 343 Ca -0.04 -0.05 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3krg n THR 343 Cb 0.50 1.84 -0.12 0.00 -2.10 0.00 0.00 70.33 70.45 3krg n THR 343 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3krg s ALA 344 N -0.01 -0.55 -0.28 6.98 0.00 -1.26 -0.55 121.76 126.10 3krg s ALA 344 Ca 0.00 0.61 -0.08 0.00 0.00 0.00 0.00 51.96 52.49 3krg s ALA 344 Cb 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 23.12 22.90 3krg s ALA 344 CO 0.00 -0.11 0.59 -1.17 0.00 0.00 0.00 175.76 175.07 3krg s LEU 345 N 0.08 -1.07 -0.01 0.00 2.96 -0.19 -4.59 118.68 115.86 3krg s LEU 345 Ca -0.00 1.34 -0.27 0.00 -0.22 0.00 0.00 54.13 54.98 3krg s LEU 345 Cb -0.02 2.07 -0.04 0.00 0.50 0.00 0.00 46.19 48.71 3krg s LEU 345 CO 0.00 -0.23 0.85 -0.47 -1.32 0.00 0.00 176.35 175.18 3krg s TYR 346 N 2.83 3.65 -0.21 5.38 5.04 -0.91 -4.35 117.35 128.78 3krg s TYR 346 Ca -0.01 1.51 -0.04 0.00 -2.44 0.00 0.00 57.07 56.09 3krg s TYR 346 Cb -0.12 -2.96 0.09 0.00 0.35 0.00 0.00 41.96 39.31 3krg s TYR 346 CO -0.18 0.07 0.19 0.34 -1.34 0.00 0.00 175.55 174.64 3krg s ASP 347 N 0.74 1.76 -0.03 4.32 3.68 -1.25 -0.51 116.67 125.37 3krg s ASP 347 Ca 0.45 -0.42 0.01 0.00 2.13 0.00 0.00 52.55 54.72 3krg s ASP 347 Cb -0.20 0.21 0.02 0.00 -1.45 0.00 0.00 42.92 41.49 3krg s ASP 347 CO 0.24 -0.34 -0.04 -0.55 0.13 0.00 0.00 175.17 174.61 3krg s SER 348 N 2.27 0.74 -0.03 -0.34 0.15 -0.35 -4.88 113.70 111.27 3krg s SER 348 Ca 0.06 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.61 3krg s SER 348 Cb -0.16 -0.31 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 3krg s SER 348 CO -0.15 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.87 3krg n GLY 349 N 3.81 0.46 3.73 9.45 0.00 -1.26 -0.62 105.19 120.76 3krg n GLY 349 Ca -0.23 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 3krg n GLY 349 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krg s THR 350 N -1.93 3.16 -0.13 2.61 2.01 -1.26 -4.15 115.64 115.95 3krg s THR 350 Ca 0.00 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 62.86 3krg s THR 350 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.91 3krg s THR 350 CO 0.00 0.10 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.23 3krg s LEU 351 N 0.50 3.27 -0.17 4.42 1.43 -0.69 -1.48 118.68 125.95 3krg s LEU 351 Ca 0.61 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3krg s LEU 351 Cb -0.38 -1.77 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3krg s LEU 351 CO 0.35 0.23 -0.13 -0.22 0.23 0.00 0.00 176.35 176.80 3krg s LEU 352 N -0.01 2.01 -1.37 1.79 2.96 0.31 -0.56 118.68 123.80 3krg s LEU 352 Ca 0.01 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.17 3krg s LEU 352 Cb -0.13 -1.24 0.05 0.00 0.50 0.00 0.00 46.19 45.36 3krg s LEU 352 CO 0.03 -0.09 0.51 0.59 -1.32 0.00 0.00 176.35 176.07 3krg n ASN 353 N 4.71 -4.58 0.00 3.68 3.02 0.21 -1.37 115.26 120.93 3krg n ASN 353 Ca -0.16 -0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 3krg n ASN 353 Cb 0.48 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 3krg n ASN 353 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krg n GLY 354 N -1.29 0.81 3.38 7.41 0.00 -1.26 -5.04 105.19 109.21 3krg n GLY 354 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3krg n GLY 354 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3krg s THR 355 N -3.03 2.71 0.15 2.61 2.01 -0.47 -5.07 115.64 114.55 3krg s THR 355 Ca 0.00 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 3krg s THR 355 Cb 0.00 -2.05 -0.08 0.00 0.01 0.00 0.00 72.50 70.38 3krg s THR 355 CO 0.00 0.57 1.29 -1.10 -0.69 0.00 0.00 174.62 174.69 3krg s GLN 356 N -0.34 4.40 0.23 4.92 -0.21 -1.26 -0.53 119.66 126.87 3krg s GLN 356 Ca 0.02 1.98 0.01 0.00 0.02 0.00 0.00 55.36 57.39 3krg s GLN 356 Cb -0.13 -3.24 -0.05 0.00 1.00 0.00 0.00 33.01 30.60 3krg s GLN 356 CO 0.02 -0.26 0.08 0.96 -2.12 0.00 0.00 175.29 173.97 3krg s ILE 357 N 0.46 0.50 -0.38 1.08 -4.36 -0.55 -4.90 121.20 113.05 3krg s ILE 357 Ca 0.58 -1.99 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 3krg s ILE 357 Cb -0.35 -2.49 0.13 0.00 1.25 0.00 0.00 42.46 41.01 3krg s ILE 357 CO 0.35 -0.12 0.20 0.21 0.24 0.00 0.00 174.94 175.81 3krg s ASN 358 N -3.25 3.49 0.26 4.36 3.84 -1.26 -4.26 114.94 118.12 3krg s ASN 358 Ca 0.34 -2.23 -0.02 0.00 0.21 0.00 0.00 52.86 51.16 3krg s ASN 358 Cb 0.07 -0.76 0.43 0.00 -0.55 0.00 0.00 41.25 40.44 3krg s ASN 358 CO 0.11 -0.32 1.86 0.00 -2.79 0.00 0.00 177.10 175.96 3krg h ALA 359 N 7.16 1.37 0.37 1.71 0.00 -1.94 -0.90 119.26 127.03 3krg h ALA 359 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3krg h ALA 359 Cb 0.96 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3krg h ALA 359 CO 0.41 0.34 -0.25 1.03 0.00 0.00 0.00 179.25 180.78 3krg h SER 360 N 1.07 -0.63 -0.79 0.00 0.87 -1.92 -1.47 113.55 110.70 3krg h SER 360 Ca 0.44 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 61.03 3krg h SER 360 Cb 0.26 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 3krg h SER 360 CO -0.20 -0.39 0.45 0.00 -0.53 0.00 0.00 176.83 176.16 3krg h ALA 361 N -0.02 1.29 0.00 6.23 0.00 -1.76 -1.08 119.26 123.92 3krg h ALA 361 Ca -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3krg h ALA 361 Cb 0.51 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3krg h ALA 361 CO 0.02 0.58 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 3krg h ALA 362 N 1.39 1.07 -0.51 0.00 0.00 -0.86 -1.86 119.26 118.49 3krg h ALA 362 Ca 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3krg h ALA 362 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3krg h ALA 362 CO -0.05 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.38 3krg n ASN 363 N -3.27 3.41 -0.35 0.00 3.02 -0.58 -4.85 115.26 112.64 3krg n ASN 363 Ca -0.01 -1.97 -0.05 0.00 -0.03 0.00 0.00 54.58 52.53 3krg n ASN 363 Cb 0.28 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 3krg n ASN 363 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3krg n GLY 364 N 1.16 0.72 3.87 7.41 0.00 -0.70 -4.99 105.19 112.67 3krg n GLY 364 Ca 0.18 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.35 3krg n GLY 364 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3krg s LEU 365 N -1.04 3.78 0.40 0.99 1.43 -0.49 -5.01 118.68 118.74 3krg s LEU 365 Ca 0.00 1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 53.98 3krg s LEU 365 Cb 0.00 -4.05 -0.10 0.00 0.03 0.00 0.00 46.19 42.07 3krg s LEU 365 CO 0.00 -0.44 1.44 -0.24 0.23 0.00 0.00 176.35 177.35 3krg n SER 366 N -1.43 3.51 -0.17 2.29 2.88 0.29 -4.57 113.62 116.42 3krg n SER 366 Ca 0.03 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 58.90 3krg n SER 366 Cb 0.54 -1.60 0.63 0.00 -0.75 0.00 0.00 64.21 63.03 3krg n SER 366 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3krg n SER 367 N 0.27 0.63 -4.30 -3.46 3.41 -1.26 -1.02 113.62 107.89 3krg n SER 367 Ca 0.03 -0.82 -0.29 0.00 -0.26 0.00 0.00 58.87 57.53 3krg n SER 367 Cb 0.39 -0.03 -0.15 0.00 -0.26 0.00 0.00 64.21 64.16 3krg n SER 367 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3krg s SER 368 N -2.32 2.87 -0.13 4.04 0.15 -1.26 -4.18 113.70 112.87 3krg s SER 368 Ca 0.33 -0.52 0.15 0.00 0.70 0.00 0.00 55.95 56.61 3krg s SER 368 Cb 0.20 -0.27 0.43 0.00 -1.71 0.00 0.00 66.02 64.67 3krg s SER 368 CO 0.44 0.24 1.33 1.33 1.20 0.00 0.00 173.24 177.79 3krg n VAL 369 N 2.02 1.95 -1.02 4.45 0.24 -1.26 -4.50 118.33 120.20 3krg n VAL 369 Ca -0.17 -1.75 -0.01 0.00 -2.04 0.00 0.00 64.34 60.38 3krg n VAL 369 Cb 0.52 -0.09 -0.00 0.00 -1.47 0.00 0.00 33.84 32.80 3krg n VAL 369 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3krg n GLY 370 N -0.48 0.48 3.37 7.63 0.00 -1.26 -4.91 105.19 110.01 3krg n GLY 370 Ca 0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3krg n GLY 370 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3krg s TRP 371 N -1.94 -0.19 -0.06 1.61 1.48 -1.26 -5.16 118.94 113.43 3krg s TRP 371 Ca 0.00 -0.13 0.00 0.00 -1.06 0.00 0.00 56.10 54.91 3krg s TRP 371 Cb 0.00 0.29 0.02 0.00 -1.16 0.00 0.00 33.47 32.63 3krg s TRP 371 CO 0.00 -0.76 -0.03 0.99 -4.06 0.00 0.00 176.95 173.09 3krg s THR 372 N -3.82 0.53 0.15 0.66 2.01 -1.26 -5.05 115.64 108.87 3krg s THR 372 Ca 0.05 -0.06 -0.31 0.00 0.31 0.00 0.00 61.69 61.67 3krg s THR 372 Cb 0.01 -0.60 -0.10 0.00 0.01 0.00 0.00 72.50 71.83 3krg s THR 372 CO -0.10 0.25 1.53 -2.84 -0.69 0.00 0.00 174.62 172.77 3krg s PRO 373 N 1.32 4.24 -0.05 4.92 0.02 -1.26 -4.90 135.00 139.28 3krg s PRO 373 Ca -0.05 2.30 0.20 0.00 0.02 0.00 0.00 61.00 63.48 3krg s PRO 373 Cb -0.14 -3.18 -0.27 0.00 0.02 0.00 0.00 34.50 30.94 3krg s PRO 373 CO -0.02 -0.57 0.43 -1.13 -0.33 0.00 0.00 177.00 175.38 3krg n SER 374 N 3.97 0.14 -4.37 2.53 3.41 -1.26 -4.81 113.62 113.23 3krg n SER 374 Ca 0.13 0.06 -0.45 0.00 -0.26 0.00 0.00 58.87 58.35 3krg n SER 374 Cb 0.39 1.43 -0.04 0.00 -0.26 0.00 0.00 64.21 65.73 3krg n SER 374 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3krg s LEU 375 N -4.98 5.69 0.08 1.04 1.43 -1.26 -4.98 118.68 115.70 3krg s LEU 375 Ca -0.08 -1.77 -0.16 0.00 -1.03 0.00 0.00 54.13 51.09 3krg s LEU 375 Cb 0.11 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 44.07 3krg s LEU 375 CO 0.87 -0.98 0.38 -1.38 0.23 0.00 0.00 176.35 175.47 3krg s HIS 376 N 2.11 -0.20 0.00 0.29 -3.43 -0.19 -2.20 115.29 111.66 3krg s HIS 376 Ca 0.14 0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.42 3krg s HIS 376 Cb -0.20 0.20 0.00 0.00 -1.43 0.00 0.00 32.58 31.15 3krg s HIS 376 CO 0.01 -0.61 0.00 0.41 -2.00 0.00 0.00 174.74 172.55 3krg n GLY 377 N 0.20 -0.22 3.75 -1.38 0.00 -1.25 -4.81 105.19 101.49 3krg n GLY 377 Ca -0.17 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 3krg n GLY 377 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3krg n SER 378 N -0.41 3.22 -4.54 1.61 2.88 -1.26 -4.97 113.62 110.14 3krg n SER 378 Ca 0.00 1.14 -0.40 0.00 -1.33 0.00 0.00 58.87 58.28 3krg n SER 378 Cb 0.00 -1.58 -0.10 0.00 -0.75 0.00 0.00 64.21 61.78 3krg n SER 378 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3krg s ILE 379 N -1.18 5.22 0.41 2.46 -1.09 -1.26 -5.06 121.20 120.70 3krg s ILE 379 Ca 0.59 -0.05 -0.25 0.00 -2.23 0.00 0.00 60.65 58.72 3krg s ILE 379 Cb -0.47 -3.76 -0.08 0.00 -1.58 0.00 0.00 42.46 36.56 3krg s ILE 379 CO 0.59 -0.04 1.15 -1.81 -1.23 0.00 0.00 174.94 173.61 3krg s ASP 380 N 1.73 6.51 0.54 3.58 1.01 -1.26 -5.00 116.67 123.78 3krg s ASP 380 Ca 0.09 2.31 -0.22 0.00 0.71 0.00 0.00 52.55 55.44 3krg s ASP 380 Cb -0.17 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 3krg s ASP 380 CO 0.11 -0.68 1.32 0.00 0.21 0.00 0.00 175.17 176.13 3krg s ALA 381 N -1.45 2.80 0.50 5.23 0.00 -1.26 -4.86 121.76 122.72 3krg s ALA 381 Ca 0.58 1.26 0.18 0.00 0.00 0.00 0.00 51.96 53.98 3krg s ALA 381 Cb -0.29 -3.54 1.25 0.00 0.00 0.00 0.00 23.12 20.54 3krg s ALA 381 CO 0.37 -1.29 2.06 0.77 0.00 0.00 0.00 175.76 177.68 3krg h SER 382 N 1.45 0.09 0.00 0.00 0.02 -1.86 -1.35 113.55 111.90 3krg h SER 382 Ca -0.51 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 3krg h SER 382 Cb 1.30 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3krg h SER 382 CO 0.57 0.06 0.01 0.00 -1.14 0.00 0.00 176.83 176.33 3krg h ALA 383 N 1.84 1.01 -0.01 3.77 0.00 -1.94 -2.27 119.26 121.67 3krg h ALA 383 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3krg h ALA 383 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3krg h ALA 383 CO -0.01 -0.01 -0.10 0.09 0.00 0.00 0.00 179.25 179.21 3krg n ASN 384 N -2.98 1.88 -0.01 0.00 3.02 -0.51 -4.72 115.26 111.94 3krg n ASN 384 Ca -0.03 -1.44 -0.12 0.00 -0.03 0.00 0.00 54.58 52.96 3krg n ASN 384 Cb 0.08 0.17 -0.07 0.00 -0.61 0.00 0.00 39.78 39.35 3krg n ASN 384 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3krg h VAL 385 N 2.25 1.21 -0.24 2.41 2.07 -1.41 -1.68 116.25 120.87 3krg h VAL 385 Ca 0.00 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 66.92 3krg h VAL 385 Cb 0.53 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3krg h VAL 385 CO 0.00 0.18 -0.14 0.50 0.02 0.00 0.00 177.57 178.13 3krg h LYS 386 N -0.12 -0.12 -0.21 1.57 3.64 -1.85 0.17 116.57 119.65 3krg h LYS 386 Ca 0.02 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3krg h LYS 386 Cb 0.28 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3krg h LYS 386 CO 0.00 -0.08 0.03 1.03 -2.27 0.00 0.00 179.45 178.16 3krg h SER 387 N -0.13 0.34 -0.61 4.20 0.87 -1.86 -0.90 113.55 115.46 3krg h SER 387 Ca 0.13 -0.27 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3krg h SER 387 Cb 0.32 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3krg h SER 387 CO -0.31 0.52 0.28 0.78 -0.53 0.00 0.00 176.83 177.56 3krg h ASN 388 N 0.14 0.82 -0.11 6.23 2.35 -1.04 -1.23 115.58 122.75 3krg h ASN 388 Ca 0.06 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3krg h ASN 388 Cb 0.33 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3krg h ASN 388 CO 0.01 0.74 -0.14 0.58 -1.65 0.00 0.00 177.43 176.96 3krg h VAL 389 N 0.85 1.38 -0.85 2.81 2.07 -0.54 -1.35 116.25 120.61 3krg h VAL 389 Ca 0.21 -1.36 0.07 0.00 0.82 0.00 0.00 66.70 66.44 3krg h VAL 389 Cb 0.15 2.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3krg h VAL 389 CO -0.02 0.39 0.52 0.40 0.02 0.00 0.00 177.57 178.88 3krg h ILE 390 N -0.14 1.00 -0.50 4.57 2.04 -1.13 -0.40 117.51 122.94 3krg h ILE 390 Ca 0.01 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.46 3krg h ILE 390 Cb 0.70 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3krg h ILE 390 CO 0.03 0.17 -0.08 0.78 0.00 0.00 0.00 178.15 179.05 3krg h ASN 391 N 0.92 0.90 0.00 1.72 2.35 -1.08 -3.37 115.58 117.01 3krg h ASN 391 Ca 0.38 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3krg h ASN 391 Cb 0.23 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3krg h ASN 391 CO -0.19 1.00 -1.31 0.00 -1.65 0.00 0.00 177.43 175.28 3krg n GLN 392 N -4.16 1.08 -3.11 0.81 6.02 -0.52 -5.02 117.38 112.48 3krg n GLN 392 Ca 0.02 -0.08 -0.39 0.00 -0.01 0.00 0.00 57.00 56.53 3krg n GLN 392 Cb 0.37 -1.24 -0.06 0.00 1.02 0.00 0.00 30.24 30.33 3krg n GLN 392 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3krg s ALA 393 N -2.68 3.49 0.00 -1.58 0.00 -0.20 -4.86 121.76 115.93 3krg s ALA 393 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.13 3krg s ALA 393 Cb 0.08 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.38 3krg s ALA 393 CO 0.52 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.95 3krg n GLY 394 N 1.91 1.84 3.77 0.00 0.00 0.29 -4.65 105.19 108.36 3krg n GLY 394 Ca -0.07 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.49 3krg n GLY 394 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3krg s ALA 395 N -1.80 2.47 -0.74 4.61 0.00 -1.09 -3.78 121.76 121.43 3krg s ALA 395 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.50 3krg s ALA 395 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3krg s ALA 395 CO 0.00 -1.29 0.00 0.41 0.00 0.00 0.00 175.76 174.88 3krg n GLY 396 N -0.53 0.90 0.26 0.00 0.00 -1.26 -4.89 105.19 99.67 3krg n GLY 396 Ca 0.10 -0.50 0.10 0.00 0.00 0.00 0.00 46.02 45.72 3krg n GLY 396 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3krg n LYS 397 N -2.44 1.04 0.00 1.61 4.76 -1.25 -4.89 118.16 117.00 3krg n LYS 397 Ca -0.07 -0.54 0.00 0.00 -2.87 0.00 0.00 58.31 54.84 3krg n LYS 397 Cb 0.27 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 3krg n LYS 397 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3krg n LEU 398 N -0.66 0.00 0.00 -0.35 4.77 -1.26 -5.03 117.00 114.47 3krg n LEU 398 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3krg n LEU 398 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3krg n LEU 398 CO 0.32 0.00 0.00 -3.20 -1.33 0.00 0.00 177.39 173.18